5-ethyl-N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]-1H-pyrazole-4-carboxamide

C20H23N7O — CID 56900360

IUPAC5-ethyl-N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]-1H-pyrazole-4-carboxamide
SMILESCCc1[nH]ncc1C(=O)N[C@H]1CC[C@H](Nc2nccc(-c3ccccn3)n2)C1
InChIInChI=1S/C20H23N7O/c1-2-16-15(12-23-27-16)19(28)24-13-6-7-14(11-13)25-20-22-10-8-18(26-20)17-5-3-4-9-21-17/h3-5,8-10,12-14H,2,6-7,11H2,1H3,(H,23,27)(H,24,28)(H,22,25,26)/t13-,14-/m0/s1
InChIKeyJPACSFJPCYFHMY-KBPBESRZSA-N
MW377.45 g/mol
LogP2.59
Rot. Bonds6

About 5-ethyl-N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]-1H-pyrazole-4-carboxamide

5-ethyl-N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]-1H-pyrazole-4-carboxamide (PubChem CID 56900360) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-ethyl-N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]-1H-pyrazole-4-carboxamide
PubChem CID56900360
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name5-ethyl-N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]-1H-pyrazole-4-carboxamide
SMILESCCc1[nH]ncc1C(=O)N[C@H]1CC[C@H](Nc2nccc(-c3ccccn3)n2)C1
InChIInChI=1S/C20H23N7O/c1-2-16-15(12-23-27-16)19(28)24-13-6-7-14(11-13)25-20-22-10-8-18(26-20)17-5-3-4-9-21-17/h3-5,8-10,12-14H,2,6-7,11H2,1H3,(H,23,27)(H,24,28)(H,22,25,26)/t13-,14-/m0/s1
InChIKeyJPACSFJPCYFHMY-KBPBESRZSA-N
XLogP2.59
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]-1H-pyrazole-4-carboxamide (CID 56900360) is 5-ethyl-N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]-1H-pyrazole-4-carboxamide is CCc1[nH]ncc1C(=O)N[C@H]1CC[C@H](Nc2nccc(-c3ccccn3)n2)C1.
What is the InChIKey of 5-ethyl-N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]-1H-pyrazole-4-carboxamide?
The InChIKey is JPACSFJPCYFHMY-KBPBESRZSA-N. The full InChI is InChI=1S/C20H23N7O/c1-2-16-15(12-23-27-16)19(28)24-13-6-7-14(11-13)25-20-22-10-8-18(26-20)17-5-3-4-9-21-17/h3-5,8-10,12-14H,2,6-7,11H2,1H3,(H,23,27)(H,24,28)(H,22,25,26)/t13-,14-/m0/s1.
What are the key properties of 5-ethyl-N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]-1H-pyrazole-4-carboxamide?
5-ethyl-N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]-1H-pyrazole-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 56900360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).