(3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide

C19H27N9O2 — CID 135362019

IUPAC(3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide
SMILESCN(C)C(=O)N1CC[C@@H]2[C@H]1CCCN2c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1
InChIInChI=1S/C19H27N9O2/c1-25(2)19(30)28-8-6-14-13(28)5-4-7-27(14)15-10-21-16(17(20)29)18(24-15)23-12-9-22-26(3)11-12/h9-11,13-14H,4-8H2,1-3H3,(H2,20,29)(H,23,24)/t13-,14-/m1/s1
InChIKeyRAWFTSRPKNNEHZ-ZIAGYGMSSA-N
MW413.49 g/mol
LogP0.78
Rot. Bonds4

About (3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide

(3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide (PubChem CID 135362019) has the molecular formula C19H27N9O2 and a molecular weight of 413.49 g/mol. Its IUPAC name is (3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide
PubChem CID135362019
Molecular FormulaC19H27N9O2
Molecular Weight413.49 g/mol
Exact Mass413.23
IUPAC Name(3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide
SMILESCN(C)C(=O)N1CC[C@@H]2[C@H]1CCCN2c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1
InChIInChI=1S/C19H27N9O2/c1-25(2)19(30)28-8-6-14-13(28)5-4-7-27(14)15-10-21-16(17(20)29)18(24-15)23-12-9-22-26(3)11-12/h9-11,13-14H,4-8H2,1-3H3,(H2,20,29)(H,23,24)/t13-,14-/m1/s1
InChIKeyRAWFTSRPKNNEHZ-ZIAGYGMSSA-N
XLogP0.78
TPSA125.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 161025913
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[1-(cyclopropanecarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]pyrazine-2-carboxamide
CID 123781939
5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-(1-hydroxyethyl)benzoic acid;5-[(2R,3R)-3-[[4-(1-hydroxyethyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 158599774
5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 157089671
tert-butyl 4-[5-carbamoyl-6-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazin-2-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxylate
CID 118114742
4-(diethylamino)benzamide;3-[(1-methylpyrazol-4-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 145201182
3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 164762653
5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 146835383
3-[(3R)-3-aminopiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 145201112
3-[4-(1-cyclobutylpiperidin-4-yl)anilino]-5-[3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]pyrazine-2-carboxamide
CID 123227868
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 72705057
5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-(quinolin-7-ylamino)pyrazine-2-carboxamide
CID 158002452

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide?
The IUPAC name of (3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide (CID 135362019) is (3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide.
What is the SMILES notation for (3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide?
The canonical SMILES for (3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide is CN(C)C(=O)N1CC[C@@H]2[C@H]1CCCN2c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.
What is the InChIKey of (3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide?
The InChIKey is RAWFTSRPKNNEHZ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H27N9O2/c1-25(2)19(30)28-8-6-14-13(28)5-4-7-27(14)15-10-21-16(17(20)29)18(24-15)23-12-9-22-26(3)11-12/h9-11,13-14H,4-8H2,1-3H3,(H2,20,29)(H,23,24)/t13-,14-/m1/s1.
What are the key properties of (3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide?
(3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-4-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine-1-carboxamide is sourced from PubChem (CID 135362019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).