4-[1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;1-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethanone

C78H85N17O5 — CID 158915613

IUPAC4-[1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;1-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethanone
SMILESCC(=O)c1cccc2c(-c3cnn4cc(N5CCC(N6CCOCC6)CC5)cnc34)cccc12.Cc1cc(-c2cnn3cc(N4CCC(N5CCOCC5)CC4)cnc23)c2ccccc2n1.NC(=O)c1ccc(-c2cnn3cc(N4CCC(N5CCOCC5)CC4)cnc23)c2ccccc12
InChIInChI=1S/C27H29N5O2.C26H28N6O2.C25H28N6O/c1-19(33)22-4-2-6-24-23(22)5-3-7-25(24)26-17-29-32-18-21(16-28-27(26)32)30-10-8-20(9-11-30)31-12-14-34-15-13-31;27-25(33)23-6-5-22(20-3-1-2-4-21(20)23)24-16-29-32-17-19(15-28-26(24)32)30-9-7-18(8-10-30)31-11-13-34-14-12-31;1-18-14-22(21-4-2-3-5-24(21)28-18)23-16-27-31-17-20(15-26-25(23)31)29-8-6-19(7-9-29)30-10-12-32-13-11-30/h2-7,16-18,20H,8-15H2,1H3;1-6,15-18H,7-14H2,(H2,27,33);2-5,14-17,19H,6-13H2,1H3
InChIKeyJHEPGRLKKOMPTF-UHFFFAOYSA-N
MW1340.65 g/mol
LogP10.56
Rot. Bonds11

About 4-[1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;1-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethanone

4-[1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;1-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethanone (PubChem CID 158915613) has the molecular formula C78H85N17O5 and a molecular weight of 1340.65 g/mol. Its IUPAC name is 4-[1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;1-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethanone.

Molecular Properties

Compound Name4-[1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;1-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethanone
PubChem CID158915613
Molecular FormulaC78H85N17O5
Molecular Weight1340.65 g/mol
Exact Mass1339.69
IUPAC Name4-[1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;1-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethanone
SMILESCC(=O)c1cccc2c(-c3cnn4cc(N5CCC(N6CCOCC6)CC5)cnc34)cccc12.Cc1cc(-c2cnn3cc(N4CCC(N5CCOCC5)CC4)cnc23)c2ccccc2n1.NC(=O)c1ccc(-c2cnn3cc(N4CCC(N5CCOCC5)CC4)cnc23)c2ccccc12
InChIInChI=1S/C27H29N5O2.C26H28N6O2.C25H28N6O/c1-19(33)22-4-2-6-24-23(22)5-3-7-25(24)26-17-29-32-18-21(16-28-27(26)32)30-10-8-20(9-11-30)31-12-14-34-15-13-31;27-25(33)23-6-5-22(20-3-1-2-4-21(20)23)24-16-29-32-17-19(15-28-26(24)32)30-9-7-18(8-10-30)31-11-13-34-14-12-31;1-18-14-22(21-4-2-3-5-24(21)28-18)23-16-27-31-17-20(15-26-25(23)31)29-8-6-19(7-9-29)30-10-12-32-13-11-30/h2-7,16-18,20H,8-15H2,1H3;1-6,15-18H,7-14H2,(H2,27,33);2-5,14-17,19H,6-13H2,1H3
InChIKeyJHEPGRLKKOMPTF-UHFFFAOYSA-N
XLogP10.56
TPSA210.75 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001340.65
LogP ≤ 510.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 4-[1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;1-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethanone with MolForge

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Related Compounds

2-Fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide
CID 137639212
N-(6-(4-(4-fluorophenyl)-1-(2-morpholinoethyl)-1H-imidazol-5-yl)imidazo[1,2-b] pyridazin-2-yl)quinoline-4-carboxamide
CID 76282804
N-(6-(4-(4-fluorophenyl)-1-(2-morpholinoethyl)-1H-imidazol-5-yl)imidazo[1,2-b] pyridazin-2-yl)-3-(pyridin-3-yl)benzamide
CID 76282805
N-methylsulfonyl-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 117728483
N-hydroxy-2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide
CID 136942075
4-[4-[4-(1-Methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]-3-(morpholin-4-ylmethyl)benzamide
CID 67500437
N-[8-morpholin-4-yl-3-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]quinoline-2-carboxamide
CID 86582452
N-[(5S)-6-amino-5-[(2-aminoacetyl)amino]-6-oxohexyl]-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 117728250
1-(4-(8-Morpholino-2-(quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-3-yl)phenyl)ethanone
CID 117728291
N-[(5S)-5,6-diamino-6-oxohexyl]-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 117728436
N-[(5S)-6-amino-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-6-oxohexyl]-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 117728593
N-methylsulfonyl-2-[(E)-2-(8-morpholin-4-yl-3-pyridin-2-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxamide
CID 117728894

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;1-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethanone?
The IUPAC name of 4-[1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;1-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethanone (CID 158915613) is 4-[1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;1-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethanone.
What is the SMILES notation for 4-[1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;1-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethanone?
The canonical SMILES for 4-[1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;1-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethanone is CC(=O)c1cccc2c(-c3cnn4cc(N5CCC(N6CCOCC6)CC5)cnc34)cccc12.Cc1cc(-c2cnn3cc(N4CCC(N5CCOCC5)CC4)cnc23)c2ccccc2n1.NC(=O)c1ccc(-c2cnn3cc(N4CCC(N5CCOCC5)CC4)cnc23)c2ccccc12.
What is the InChIKey of 4-[1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;1-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethanone?
The InChIKey is JHEPGRLKKOMPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2.C26H28N6O2.C25H28N6O/c1-19(33)22-4-2-6-24-23(22)5-3-7-25(24)26-17-29-32-18-21(16-28-27(26)32)30-10-8-20(9-11-30)31-12-14-34-15-13-31;27-25(33)23-6-5-22(20-3-1-2-4-21(20)23)24-16-29-32-17-19(15-28-26(24)32)30-9-7-18(8-10-30)31-11-13-34-14-12-31;1-18-14-22(21-4-2-3-5-24(21)28-18)23-16-27-31-17-20(15-26-25(23)31)29-8-6-19(7-9-29)30-10-12-32-13-11-30/h2-7,16-18,20H,8-15H2,1H3;1-6,15-18H,7-14H2,(H2,27,33);2-5,14-17,19H,6-13H2,1H3.
What are the key properties of 4-[1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;1-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethanone?
4-[1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;1-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethanone has a molecular weight of 1340.65 g/mol, XLogP of 10.56, 11 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;1-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethanone is sourced from PubChem (CID 158915613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).