6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid

C19H23N5O3 — CID 118794991

IUPAC6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCn3nc(CNC(=O)C4CCCC4)cc3C2)nc1
InChIInChI=1S/C19H23N5O3/c25-18(13-3-1-2-4-13)21-11-15-9-16-12-23(7-8-24(16)22-15)17-6-5-14(10-20-17)19(26)27/h5-6,9-10,13H,1-4,7-8,11-12H2,(H,21,25)(H,26,27)
InChIKeyPPIQRNRHXGOTMN-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.80
Rot. Bonds5

About 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid

6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid (PubChem CID 118794991) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid
PubChem CID118794991
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCn3nc(CNC(=O)C4CCCC4)cc3C2)nc1
InChIInChI=1S/C19H23N5O3/c25-18(13-3-1-2-4-13)21-11-15-9-16-12-23(7-8-24(16)22-15)17-6-5-14(10-20-17)19(26)27/h5-6,9-10,13H,1-4,7-8,11-12H2,(H,21,25)(H,26,27)
InChIKeyPPIQRNRHXGOTMN-UHFFFAOYSA-N
XLogP1.80
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid
CID 118788133
N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118790699
N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118784232
N-[[5-(2-amino-6-methoxypyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118779509
N-[[5-[(5-ethyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118771707
N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118769143
N-[[5-[(2-ethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118787943
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclohexanecarboxamide
CID 70732727
N-[[5-[(3-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118784008
N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118772302
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 70734598
N-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118790451

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid (CID 118794991) is 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CCn3nc(CNC(=O)C4CCCC4)cc3C2)nc1.
What is the InChIKey of 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid?
The InChIKey is PPIQRNRHXGOTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-18(13-3-1-2-4-13)21-11-15-9-16-12-23(7-8-24(16)22-15)17-6-5-14(10-20-17)19(26)27/h5-6,9-10,13H,1-4,7-8,11-12H2,(H,21,25)(H,26,27).
What are the key properties of 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid?
6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid has a molecular weight of 369.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 118794991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).