6-[1-(cyclopentylamino)-1-hydroxyethyl]-5,6-dimethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C23H38N6O3 — CID 143131043

IUPAC6-[1-(cyclopentylamino)-1-hydroxyethyl]-5,6-dimethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCN1C(=O)c2cc(C(=O)NCCCN3CCCC3)nn2CC1(C)C(C)(O)NC1CCCC1
InChIInChI=1S/C23H38N6O3/c1-22(23(2,32)25-17-9-4-5-10-17)16-29-19(21(31)27(22)3)15-18(26-29)20(30)24-11-8-14-28-12-6-7-13-28/h15,17,25,32H,4-14,16H2,1-3H3,(H,24,30)
InChIKeyOIDKAHGPSCDUOL-UHFFFAOYSA-N
MW446.60 g/mol
LogP1.18
Rot. Bonds8

About 6-[1-(cyclopentylamino)-1-hydroxyethyl]-5,6-dimethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

6-[1-(cyclopentylamino)-1-hydroxyethyl]-5,6-dimethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 143131043) has the molecular formula C23H38N6O3 and a molecular weight of 446.60 g/mol. Its IUPAC name is 6-[1-(cyclopentylamino)-1-hydroxyethyl]-5,6-dimethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[1-(cyclopentylamino)-1-hydroxyethyl]-5,6-dimethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID143131043
Molecular FormulaC23H38N6O3
Molecular Weight446.60 g/mol
Exact Mass446.30
IUPAC Name6-[1-(cyclopentylamino)-1-hydroxyethyl]-5,6-dimethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCN1C(=O)c2cc(C(=O)NCCCN3CCCC3)nn2CC1(C)C(C)(O)NC1CCCC1
InChIInChI=1S/C23H38N6O3/c1-22(23(2,32)25-17-9-4-5-10-17)16-29-19(21(31)27(22)3)15-18(26-29)20(30)24-11-8-14-28-12-6-7-13-28/h15,17,25,32H,4-14,16H2,1-3H3,(H,24,30)
InChIKeyOIDKAHGPSCDUOL-UHFFFAOYSA-N
XLogP1.18
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(6R)-6-N-cyclopentyl-5,6-dimethyl-4-oxo-2-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743229
(6S)-6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743426
6-N-cyclopentyl-5,6-dimethyl-4-oxo-2-N-(3-piperidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278753
(6R)-6-N-cycloheptyl-5,6-dimethyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92723184
6-N-cyclopentyl-5,6-dimethyl-4-oxo-2-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278746
(6S)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743991
(6S)-6-N-cyclopentyl-5-ethyl-6-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744260
(6S)-6-N-cyclopentyl-6-methyl-2-N-(3-morpholin-4-ylpropyl)-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744344
(6R)-6-N-benzyl-5,6-dimethyl-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743830
(6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743317
6-N-cycloheptyl-2-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758545
(6R)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-2-N-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744475

Frequently Asked Questions

What is the IUPAC name of 6-[1-(cyclopentylamino)-1-hydroxyethyl]-5,6-dimethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 6-[1-(cyclopentylamino)-1-hydroxyethyl]-5,6-dimethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 143131043) is 6-[1-(cyclopentylamino)-1-hydroxyethyl]-5,6-dimethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[1-(cyclopentylamino)-1-hydroxyethyl]-5,6-dimethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-[1-(cyclopentylamino)-1-hydroxyethyl]-5,6-dimethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxamide is CN1C(=O)c2cc(C(=O)NCCCN3CCCC3)nn2CC1(C)C(C)(O)NC1CCCC1.
What is the InChIKey of 6-[1-(cyclopentylamino)-1-hydroxyethyl]-5,6-dimethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is OIDKAHGPSCDUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O3/c1-22(23(2,32)25-17-9-4-5-10-17)16-29-19(21(31)27(22)3)15-18(26-29)20(30)24-11-8-14-28-12-6-7-13-28/h15,17,25,32H,4-14,16H2,1-3H3,(H,24,30).
What are the key properties of 6-[1-(cyclopentylamino)-1-hydroxyethyl]-5,6-dimethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
6-[1-(cyclopentylamino)-1-hydroxyethyl]-5,6-dimethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(cyclopentylamino)-1-hydroxyethyl]-5,6-dimethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 143131043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).