(3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1H-pyrazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide

C27H25N7O2 — CID 158254292

IUPAC(3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1H-pyrazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
SMILESCNC(=O)[C@H]1CC2=C(Cc3ccccc32)CN1C(=O)c1[nH]ncc1CNc1ccc2nccnc2c1
InChIInChI=1S/C27H25N7O2/c1-28-26(35)24-12-21-17(10-16-4-2-3-5-20(16)21)15-34(24)27(36)25-18(14-32-33-25)13-31-19-6-7-22-23(11-19)30-9-8-29-22/h2-9,11,14,24,31H,10,12-13,15H2,1H3,(H,28,35)(H,32,33)/t24-/m1/s1
InChIKeyGHBXMNDSQUITGT-XMMPIXPASA-N
MW479.54 g/mol
LogP2.94
Rot. Bonds5

About (3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1H-pyrazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide

(3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1H-pyrazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide (PubChem CID 158254292) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is (3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1H-pyrazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1H-pyrazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
PubChem CID158254292
Molecular FormulaC27H25N7O2
Molecular Weight479.54 g/mol
Exact Mass479.21
IUPAC Name(3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1H-pyrazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
SMILESCNC(=O)[C@H]1CC2=C(Cc3ccccc32)CN1C(=O)c1[nH]ncc1CNc1ccc2nccnc2c1
InChIInChI=1S/C27H25N7O2/c1-28-26(35)24-12-21-17(10-16-4-2-3-5-20(16)21)15-34(24)27(36)25-18(14-32-33-25)13-31-19-6-7-22-23(11-19)30-9-8-29-22/h2-9,11,14,24,31H,10,12-13,15H2,1H3,(H,28,35)(H,32,33)/t24-/m1/s1
InChIKeyGHBXMNDSQUITGT-XMMPIXPASA-N
XLogP2.94
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-1H-pyrazolo[5,4-a]phenazine-10-carboxamide
CID 9902222
5-(1~{h}-Indol-3-Ylmethyl)-1-Methyl-~{n}-(Naphthalen-1-Ylmethyl)-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridine-3-Carboxamide
CID 118933302
1-[7-(benzotriazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-2-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]ethane-1,2-dione
CID 71518047
N-[2-(dimethylamino)ethyl]-3H-pyrazolo[4,5-a]phenazine-10-carboxamide
CID 9945601
3-Methyl-3H-Pyrazol[4,3-alpha]phenazine-10-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 10269234
N-[6-(1H-Indol-4-yl)-1H-indazol-4-yl]-2-pyridinecarboxamide
CID 44540407
7-(aminomethyl)-2-(2-(quinolin-3-yl)pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 54582534
N-[4-[[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557526
[3-(1H-indazol-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300405
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1H-pyrazolo[4,5-b]pyridine-6-carboxamide
CID 137660155
N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 56599754
N-[(1S,2R)-2-phenylcyclopropyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 130368469

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1H-pyrazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1H-pyrazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide (CID 158254292) is (3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1H-pyrazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1H-pyrazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1H-pyrazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide is CNC(=O)[C@H]1CC2=C(Cc3ccccc32)CN1C(=O)c1[nH]ncc1CNc1ccc2nccnc2c1.
What is the InChIKey of (3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1H-pyrazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide?
The InChIKey is GHBXMNDSQUITGT-XMMPIXPASA-N. The full InChI is InChI=1S/C27H25N7O2/c1-28-26(35)24-12-21-17(10-16-4-2-3-5-20(16)21)15-34(24)27(36)25-18(14-32-33-25)13-31-19-6-7-22-23(11-19)30-9-8-29-22/h2-9,11,14,24,31H,10,12-13,15H2,1H3,(H,28,35)(H,32,33)/t24-/m1/s1.
What are the key properties of (3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1H-pyrazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide?
(3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1H-pyrazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1H-pyrazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide is sourced from PubChem (CID 158254292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).