5-[(6-fluoro-2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H23FN8O3 — CID 146560786

IUPAC5-[(6-fluoro-2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2ccc(F)n(-c3ccccn3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C23H23FN8O3/c1-25-20-11-18(28-15-7-9-17(24)31(23(15)34)19-5-3-4-10-26-19)30-21-13(12-27-32(20)21)22(33)29-14-6-8-16(14)35-2/h3-5,7,9-12,14,16,25H,6,8H2,1-2H3,(H,28,30)(H,29,33)/t14-,16-/m0/s1
InChIKeyGBMJDUSKBFIICQ-HOCLYGCPSA-N
MW478.49 g/mol
LogP2.11
Rot. Bonds7

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

5-[(6-fluoro-2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560786) has the molecular formula C23H23FN8O3 and a molecular weight of 478.49 g/mol. Its IUPAC name is 5-[(6-fluoro-2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(6-fluoro-2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146560786
Molecular FormulaC23H23FN8O3
Molecular Weight478.49 g/mol
Exact Mass478.19
IUPAC Name5-[(6-fluoro-2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2ccc(F)n(-c3ccccn3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C23H23FN8O3/c1-25-20-11-18(28-15-7-9-17(24)31(23(15)34)19-5-3-4-10-26-19)30-21-13(12-27-32(20)21)22(33)29-14-6-8-16(14)35-2/h3-5,7,9-12,14,16,25H,6,8H2,1-2H3,(H,28,30)(H,29,33)/t14-,16-/m0/s1
InChIKeyGBMJDUSKBFIICQ-HOCLYGCPSA-N
XLogP2.11
TPSA127.47 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[(6-fluoro-2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

CID 137441492
CID 137441492
CID 137449296
CID 137449296
CID 57377956
CID 57377956
CID 57378176
CID 57378176
CID 57378392
CID 57378392
CID 71538147
CID 71538147
CID 71538688
CID 71538688
CID 91809175
CID 91809175
CID 122630882
CID 122630882
CID 134551574
CID 134551574
CID 137441447
CID 137441447
CID 137441478
CID 137441478

Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoro-2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(6-fluoro-2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560786) is 5-[(6-fluoro-2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(6-fluoro-2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(6-fluoro-2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2ccc(F)n(-c3ccccn3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.
What is the InChIKey of 5-[(6-fluoro-2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GBMJDUSKBFIICQ-HOCLYGCPSA-N. The full InChI is InChI=1S/C23H23FN8O3/c1-25-20-11-18(28-15-7-9-17(24)31(23(15)34)19-5-3-4-10-26-19)30-21-13(12-27-32(20)21)22(33)29-14-6-8-16(14)35-2/h3-5,7,9-12,14,16,25H,6,8H2,1-2H3,(H,28,30)(H,29,33)/t14-,16-/m0/s1.
What are the key properties of 5-[(6-fluoro-2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(6-fluoro-2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 478.49 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoro-2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).