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

C23H28F2N8O2 — CID 137449216

IUPACN-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@H]3CCCN(CCF)C3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C23H28F2N8O2/c1-26-20-11-19(30-21-15(12-27-33(20)21)22(34)29-18-10-16(18)25)28-17-5-3-8-32(23(17)35)14-4-2-7-31(13-14)9-6-24/h3,5,8,11-12,14,16,18,26H,2,4,6-7,9-10,13H2,1H3,(H,28,30)(H,29,34)/t14-,16-,18+/m0/s1
InChIKeyINRVAZUXBJOOIT-QILLFSRXSA-N
MW486.53 g/mol
LogP2.12
Rot. Bonds8

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

N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449216) has the molecular formula C23H28F2N8O2 and a molecular weight of 486.53 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449216
Molecular FormulaC23H28F2N8O2
Molecular Weight486.53 g/mol
Exact Mass486.23
IUPAC NameN-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@H]3CCCN(CCF)C3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C23H28F2N8O2/c1-26-20-11-19(30-21-15(12-27-33(20)21)22(34)29-18-10-16(18)25)28-17-5-3-8-32(23(17)35)14-4-2-7-31(13-14)9-6-24/h3,5,8,11-12,14,16,18,26H,2,4,6-7,9-10,13H2,1H3,(H,28,30)(H,29,34)/t14-,16-,18+/m0/s1
InChIKeyINRVAZUXBJOOIT-QILLFSRXSA-N
XLogP2.12
TPSA108.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)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]-5-[[1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449216) is N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@H]3CCCN(CCF)C3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.
What is the InChIKey of N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is INRVAZUXBJOOIT-QILLFSRXSA-N. The full InChI is InChI=1S/C23H28F2N8O2/c1-26-20-11-19(30-21-15(12-27-33(20)21)22(34)29-18-10-16(18)25)28-17-5-3-8-32(23(17)35)14-4-2-7-31(13-14)9-6-24/h3,5,8,11-12,14,16,18,26H,2,4,6-7,9-10,13H2,1H3,(H,28,30)(H,29,34)/t14-,16-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 486.53 g/mol, XLogP of 2.12, 8 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]-5-[[1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).