5-[[1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H21FN8O3 — CID 137449968

IUPAC5-[[1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3oc(C)nc3C)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C21H21FN8O3/c1-10-21(33-11(2)25-10)29-6-4-5-14(20(29)32)26-16-8-17(23-3)30-18(28-16)12(9-24-30)19(31)27-15-7-13(15)22/h4-6,8-9,13,15,23H,7H2,1-3H3,(H,26,28)(H,27,31)/t13-,15+/m0/s1
InChIKeyWEARBBNVJCBEAJ-DZGCQCFKSA-N
MW452.45 g/mol
LogP2.11
Rot. Bonds6

About 5-[[1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449968) has the molecular formula C21H21FN8O3 and a molecular weight of 452.45 g/mol. Its IUPAC name is 5-[[1-(2,4-dimethyl-1,3-oxazol-5-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-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449968
Molecular FormulaC21H21FN8O3
Molecular Weight452.45 g/mol
Exact Mass452.17
IUPAC Name5-[[1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3oc(C)nc3C)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C21H21FN8O3/c1-10-21(33-11(2)25-10)29-6-4-5-14(20(29)32)26-16-8-17(23-3)30-18(28-16)12(9-24-30)19(31)27-15-7-13(15)22/h4-6,8-9,13,15,23H,7H2,1-3H3,(H,26,28)(H,27,31)/t13-,15+/m0/s1
InChIKeyWEARBBNVJCBEAJ-DZGCQCFKSA-N
XLogP2.11
TPSA131.38 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-[[1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,4-dimethyl-1,3-oxazol-5-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-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449968) is 5-[[1-(2,4-dimethyl-1,3-oxazol-5-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-(2,4-dimethyl-1,3-oxazol-5-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-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3oc(C)nc3C)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.
What is the InChIKey of 5-[[1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WEARBBNVJCBEAJ-DZGCQCFKSA-N. The full InChI is InChI=1S/C21H21FN8O3/c1-10-21(33-11(2)25-10)29-6-4-5-14(20(29)32)26-16-8-17(23-3)30-18(28-16)12(9-24-30)19(31)27-15-7-13(15)22/h4-6,8-9,13,15,23H,7H2,1-3H3,(H,26,28)(H,27,31)/t13-,15+/m0/s1.
What are the key properties of 5-[[1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-(2,4-dimethyl-1,3-oxazol-5-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 452.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,4-dimethyl-1,3-oxazol-5-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 137449968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).