N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H16FN9O — CID 137449551

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn3cnnc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C17H16FN9O/c1-19-14-6-13(22-11-3-2-4-26-8-20-25-16(11)26)24-15-9(7-21-27(14)15)17(28)23-12-5-10(12)18/h2-4,6-8,10,12,19H,5H2,1H3,(H,22,24)(H,23,28)/t10-,12+/m1/s1
InChIKeyDKHUIHLJKKGZHH-PWSUYJOCSA-N
MW381.38 g/mol
LogP1.40
Rot. Bonds5

About N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449551) has the molecular formula C17H16FN9O and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449551
Molecular FormulaC17H16FN9O
Molecular Weight381.38 g/mol
Exact Mass381.15
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn3cnnc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C17H16FN9O/c1-19-14-6-13(22-11-3-2-4-26-8-20-25-16(11)26)24-15-9(7-21-27(14)15)17(28)23-12-5-10(12)18/h2-4,6-8,10,12,19H,5H2,1H3,(H,22,24)(H,23,28)/t10-,12+/m1/s1
InChIKeyDKHUIHLJKKGZHH-PWSUYJOCSA-N
XLogP1.40
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449551) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn3cnnc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DKHUIHLJKKGZHH-PWSUYJOCSA-N. The full InChI is InChI=1S/C17H16FN9O/c1-19-14-6-13(22-11-3-2-4-26-8-20-25-16(11)26)24-15-9(7-21-27(14)15)17(28)23-12-5-10(12)18/h2-4,6-8,10,12,19H,5H2,1H3,(H,22,24)(H,23,28)/t10-,12+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).