6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C27H35N5O3 — CID 50758477

IUPAC6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NC3CCCc4ccccc43)nn2CC1(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C27H35N5O3/c1-27(26(35)28-19-12-5-3-4-6-13-19)17-32-23(25(34)31(27)2)16-22(30-32)24(33)29-21-15-9-11-18-10-7-8-14-20(18)21/h7-8,10,14,16,19,21H,3-6,9,11-13,15,17H2,1-2H3,(H,28,35)(H,29,33)
InChIKeyLBKANSITMJCJGH-UHFFFAOYSA-N
MW477.61 g/mol
LogP3.37
Rot. Bonds4

About 6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 50758477) has the molecular formula C27H35N5O3 and a molecular weight of 477.61 g/mol. Its IUPAC name is 6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID50758477
Molecular FormulaC27H35N5O3
Molecular Weight477.61 g/mol
Exact Mass477.27
IUPAC Name6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NC3CCCc4ccccc43)nn2CC1(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C27H35N5O3/c1-27(26(35)28-19-12-5-3-4-6-13-19)17-32-23(25(34)31(27)2)16-22(30-32)24(33)29-21-15-9-11-18-10-7-8-14-20(18)21/h7-8,10,14,16,19,21H,3-6,9,11-13,15,17H2,1-2H3,(H,28,35)(H,29,33)
InChIKeyLBKANSITMJCJGH-UHFFFAOYSA-N
XLogP3.37
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743317
(6R)-6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743571
(6S)-6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743572
6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 20919434
(6S)-2-N-[(2-bromophenyl)methyl]-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743217
2-N-[(4-chlorophenyl)methyl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758464
(6R)-6-N-cyclohexyl-5,6-dimethyl-2-N-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743364
(6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92723193
(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-cyclohexyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743457
6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758503

Frequently Asked Questions

What is the IUPAC name of 6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 50758477) is 6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CN1C(=O)c2cc(C(=O)NC3CCCc4ccccc43)nn2CC1(C)C(=O)NC1CCCCCC1.
What is the InChIKey of 6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is LBKANSITMJCJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3/c1-27(26(35)28-19-12-5-3-4-6-13-19)17-32-23(25(34)31(27)2)16-22(30-32)24(33)29-21-15-9-11-18-10-7-8-14-20(18)21/h7-8,10,14,16,19,21H,3-6,9,11-13,15,17H2,1-2H3,(H,28,35)(H,29,33).
What are the key properties of 6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 477.61 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 50758477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).