3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide

C33H36FN9O2 — CID 156869766

IUPAC3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide
SMILESCn1cc(-c2cc3ncccc3c(-c3ccc(N4CCC(CN5CCOCC5)(N5C=CC=C(F)C5C(N)=O)CC4)nc3)n2)cn1
InChIInChI=1S/C33H36FN9O2/c1-40-21-24(20-38-40)27-18-28-25(4-2-10-36-28)30(39-27)23-6-7-29(37-19-23)42-12-8-33(9-13-42,22-41-14-16-45-17-15-41)43-11-3-5-26(34)31(43)32(35)44/h2-7,10-11,18-21,31H,8-9,12-17,22H2,1H3,(H2,35,44)
InChIKeyMIFQLKHZJYJFBF-UHFFFAOYSA-N
MW609.71 g/mol
LogP3.30
Rot. Bonds7

About 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide

3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide (PubChem CID 156869766) has the molecular formula C33H36FN9O2 and a molecular weight of 609.71 g/mol. Its IUPAC name is 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide
PubChem CID156869766
Molecular FormulaC33H36FN9O2
Molecular Weight609.71 g/mol
Exact Mass609.30
IUPAC Name3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide
SMILESCn1cc(-c2cc3ncccc3c(-c3ccc(N4CCC(CN5CCOCC5)(N5C=CC=C(F)C5C(N)=O)CC4)nc3)n2)cn1
InChIInChI=1S/C33H36FN9O2/c1-40-21-24(20-38-40)27-18-28-25(4-2-10-36-28)30(39-27)23-6-7-29(37-19-23)42-12-8-33(9-13-42,22-41-14-16-45-17-15-41)43-11-3-5-26(34)31(43)32(35)44/h2-7,10-11,18-21,31H,8-9,12-17,22H2,1H3,(H2,35,44)
InChIKeyMIFQLKHZJYJFBF-UHFFFAOYSA-N
XLogP3.30
TPSA118.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.71
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 117728565
CID 118869552
CID 118869552
(3R)-4-[4-(2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 122585589
N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
CID 156527578
(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(2-pyridin-3-ylethynyl)-1,7-naphthyridin-2-yl]morpholine
CID 156013847
4-methyl-7-morpholin-4-yl-N-[(1R)-1-[6-(trifluoromethyl)-2-pyridinyl]ethyl]pyrido[3,4-d]pyridazin-1-amine
CID 168293386
1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 25000735
(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1-methylpyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
CID 59703383
1-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
CID 66559198
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-morpholin-4-yl-2-pyridin-2-ylethyl)urea
CID 89536153
4-(2-fluorophenyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869157
2-fluoro-6-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline
CID 118869189

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide (CID 156869766) is 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide is Cn1cc(-c2cc3ncccc3c(-c3ccc(N4CCC(CN5CCOCC5)(N5C=CC=C(F)C5C(N)=O)CC4)nc3)n2)cn1.
What is the InChIKey of 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide?
The InChIKey is MIFQLKHZJYJFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN9O2/c1-40-21-24(20-38-40)27-18-28-25(4-2-10-36-28)30(39-27)23-6-7-29(37-19-23)42-12-8-33(9-13-42,22-41-14-16-45-17-15-41)43-11-3-5-26(34)31(43)32(35)44/h2-7,10-11,18-21,31H,8-9,12-17,22H2,1H3,(H2,35,44).
What are the key properties of 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide?
3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide has a molecular weight of 609.71 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[1-[5-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]-2H-pyridine-2-carboxamide is sourced from PubChem (CID 156869766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).