N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H27FN8O2 — CID 137449727

IUPACN-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCCN(C)C3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C22H27FN8O2/c1-24-19-10-18(28-20-14(11-25-31(19)20)21(32)27-17-9-15(17)23)26-16-6-4-8-30(22(16)33)13-5-3-7-29(2)12-13/h4,6,8,10-11,13,15,17,24H,3,5,7,9,12H2,1-2H3,(H,26,28)(H,27,32)/t13?,15-,17+/m0/s1
InChIKeyLBPGEVDFOOILBO-BOBJKBKNSA-N
MW454.51 g/mol
LogP1.78
Rot. Bonds6

About N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449727) has the molecular formula C22H27FN8O2 and a molecular weight of 454.51 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449727
Molecular FormulaC22H27FN8O2
Molecular Weight454.51 g/mol
Exact Mass454.22
IUPAC NameN-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCCN(C)C3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C22H27FN8O2/c1-24-19-10-18(28-20-14(11-25-31(19)20)21(32)27-17-9-15(17)23)26-16-6-4-8-30(22(16)33)13-5-3-7-29(2)12-13/h4,6,8,10-11,13,15,17,24H,3,5,7,9,12H2,1-2H3,(H,26,28)(H,27,32)/t13?,15-,17+/m0/s1
InChIKeyLBPGEVDFOOILBO-BOBJKBKNSA-N
XLogP1.78
TPSA108.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449727) is N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCCN(C)C3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.
What is the InChIKey of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LBPGEVDFOOILBO-BOBJKBKNSA-N. The full InChI is InChI=1S/C22H27FN8O2/c1-24-19-10-18(28-20-14(11-25-31(19)20)21(32)27-17-9-15(17)23)26-16-6-4-8-30(22(16)33)13-5-3-7-29(2)12-13/h4,6,8,10-11,13,15,17,24H,3,5,7,9,12H2,1-2H3,(H,26,28)(H,27,32)/t13?,15-,17+/m0/s1.
What are the key properties of N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 454.51 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).