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

C23H26FN9O2 — CID 137449219

IUPAC5-[[1-[(3S)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@H]3CCN(CCC#N)C3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C23H26FN9O2/c1-26-20-11-19(30-21-15(12-27-33(20)21)22(34)29-18-10-16(18)24)28-17-4-2-8-32(23(17)35)14-5-9-31(13-14)7-3-6-25/h2,4,8,11-12,14,16,18,26H,3,5,7,9-10,13H2,1H3,(H,28,30)(H,29,34)/t14-,16-,18+/m0/s1
InChIKeyGURIQWGENCFUIT-QILLFSRXSA-N
MW479.52 g/mol
LogP1.68
Rot. Bonds8

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

5-[[1-[(3S)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449219) has the molecular formula C23H26FN9O2 and a molecular weight of 479.52 g/mol. Its IUPAC name is 5-[[1-[(3S)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-[(3S)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449219
Molecular FormulaC23H26FN9O2
Molecular Weight479.52 g/mol
Exact Mass479.22
IUPAC Name5-[[1-[(3S)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@H]3CCN(CCC#N)C3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C23H26FN9O2/c1-26-20-11-19(30-21-15(12-27-33(20)21)22(34)29-18-10-16(18)24)28-17-4-2-8-32(23(17)35)14-5-9-31(13-14)7-3-6-25/h2,4,8,11-12,14,16,18,26H,3,5,7,9-10,13H2,1H3,(H,28,30)(H,29,34)/t14-,16-,18+/m0/s1
InChIKeyGURIQWGENCFUIT-QILLFSRXSA-N
XLogP1.68
TPSA132.38 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(3S)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-[(3S)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449219) is 5-[[1-[(3S)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-[(3S)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-[(3S)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@H]3CCN(CCC#N)C3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.
What is the InChIKey of 5-[[1-[(3S)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GURIQWGENCFUIT-QILLFSRXSA-N. The full InChI is InChI=1S/C23H26FN9O2/c1-26-20-11-19(30-21-15(12-27-33(20)21)22(34)29-18-10-16(18)24)28-17-4-2-8-32(23(17)35)14-5-9-31(13-14)7-3-6-25/h2,4,8,11-12,14,16,18,26H,3,5,7,9-10,13H2,1H3,(H,28,30)(H,29,34)/t14-,16-,18+/m0/s1.
What are the key properties of 5-[[1-[(3S)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-[(3S)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 479.52 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(3S)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).