5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H23FN6O3 — CID 146560057

IUPAC5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCO[C@H]1CCC1NC(=O)c1cnn2c(C)cc(Nc3cccn([C@H]4C[C@@H]4F)c3=O)nc12
InChIInChI=1S/C21H23FN6O3/c1-11-8-18(24-15-4-3-7-27(21(15)30)16-9-13(16)22)26-19-12(10-23-28(11)19)20(29)25-14-5-6-17(14)31-2/h3-4,7-8,10,13-14,16-17H,5-6,9H2,1-2H3,(H,24,26)(H,25,29)/t13-,14?,16-,17-/m0/s1
InChIKeyFCOQZVHARAGDIJ-PEDUJENPSA-N
MW426.45 g/mol
LogP2.13
Rot. Bonds6

About 5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560057) has the molecular formula C21H23FN6O3 and a molecular weight of 426.45 g/mol. Its IUPAC name is 5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146560057
Molecular FormulaC21H23FN6O3
Molecular Weight426.45 g/mol
Exact Mass426.18
IUPAC Name5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCO[C@H]1CCC1NC(=O)c1cnn2c(C)cc(Nc3cccn([C@H]4C[C@@H]4F)c3=O)nc12
InChIInChI=1S/C21H23FN6O3/c1-11-8-18(24-15-4-3-7-27(21(15)30)16-9-13(16)22)26-19-12(10-23-28(11)19)20(29)25-14-5-6-17(14)31-2/h3-4,7-8,10,13-14,16-17H,5-6,9H2,1-2H3,(H,24,26)(H,25,29)/t13-,14?,16-,17-/m0/s1
InChIKeyFCOQZVHARAGDIJ-PEDUJENPSA-N
XLogP2.13
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[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-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560057) is 5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CO[C@H]1CCC1NC(=O)c1cnn2c(C)cc(Nc3cccn([C@H]4C[C@@H]4F)c3=O)nc12.
What is the InChIKey of 5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FCOQZVHARAGDIJ-PEDUJENPSA-N. The full InChI is InChI=1S/C21H23FN6O3/c1-11-8-18(24-15-4-3-7-27(21(15)30)16-9-13(16)22)26-19-12(10-23-28(11)19)20(29)25-14-5-6-17(14)31-2/h3-4,7-8,10,13-14,16-17H,5-6,9H2,1-2H3,(H,24,26)(H,25,29)/t13-,14?,16-,17-/m0/s1.
What are the key properties of 5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 426.45 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxycyclobutyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).