N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H25FN8O3 — CID 137457542

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cccc(C(C)(C)O)n3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C24H25FN8O3/c1-24(2,36)17-7-4-8-19(30-17)32-9-5-6-15(23(32)35)28-18-11-20(26-3)33-21(31-18)13(12-27-33)22(34)29-16-10-14(16)25/h4-9,11-12,14,16,26,36H,10H2,1-3H3,(H,28,31)(H,29,34)/t14-,16+/m1/s1
InChIKeyLQWJWPRDLIHBPY-ZBFHGGJFSA-N
MW492.52 g/mol
LogP2.13
Rot. Bonds7

About N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137457542) has the molecular formula C24H25FN8O3 and a molecular weight of 492.52 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137457542
Molecular FormulaC24H25FN8O3
Molecular Weight492.52 g/mol
Exact Mass492.20
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cccc(C(C)(C)O)n3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C24H25FN8O3/c1-24(2,36)17-7-4-8-19(30-17)32-9-5-6-15(23(32)35)28-18-11-20(26-3)33-21(31-18)13(12-27-33)22(34)29-16-10-14(16)25/h4-9,11-12,14,16,26,36H,10H2,1-3H3,(H,28,31)(H,29,34)/t14-,16+/m1/s1
InChIKeyLQWJWPRDLIHBPY-ZBFHGGJFSA-N
XLogP2.13
TPSA138.47 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-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-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137457542) is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3cccc(C(C)(C)O)n3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LQWJWPRDLIHBPY-ZBFHGGJFSA-N. The full InChI is InChI=1S/C24H25FN8O3/c1-24(2,36)17-7-4-8-19(30-17)32-9-5-6-15(23(32)35)28-18-11-20(26-3)33-21(31-18)13(12-27-33)22(34)29-16-10-14(16)25/h4-9,11-12,14,16,26,36H,10H2,1-3H3,(H,28,31)(H,29,34)/t14-,16+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 492.52 g/mol, XLogP of 2.13, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137457542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).