5-[(3R)-3-[(4-cyclopropyl-3-methoxybenzoyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

C25H30N8O3 — CID 145201384

IUPAC5-[(3R)-3-[(4-cyclopropyl-3-methoxybenzoyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCOc1cc(C(=O)N[C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4cnn(C)c4)n3)C2)ccc1C1CC1
InChIInChI=1S/C25H30N8O3/c1-32-13-18(11-28-32)29-24-22(23(26)34)27-12-21(31-24)33-9-3-4-17(14-33)30-25(35)16-7-8-19(15-5-6-15)20(10-16)36-2/h7-8,10-13,15,17H,3-6,9,14H2,1-2H3,(H2,26,34)(H,29,31)(H,30,35)/t17-/m1/s1
InChIKeyQBJHYBMGVGNFTP-QGZVFWFLSA-N
MW490.57 g/mol
LogP2.34
Rot. Bonds8

About 5-[(3R)-3-[(4-cyclopropyl-3-methoxybenzoyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

5-[(3R)-3-[(4-cyclopropyl-3-methoxybenzoyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 145201384) has the molecular formula C25H30N8O3 and a molecular weight of 490.57 g/mol. Its IUPAC name is 5-[(3R)-3-[(4-cyclopropyl-3-methoxybenzoyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3R)-3-[(4-cyclopropyl-3-methoxybenzoyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
PubChem CID145201384
Molecular FormulaC25H30N8O3
Molecular Weight490.57 g/mol
Exact Mass490.24
IUPAC Name5-[(3R)-3-[(4-cyclopropyl-3-methoxybenzoyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCOc1cc(C(=O)N[C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4cnn(C)c4)n3)C2)ccc1C1CC1
InChIInChI=1S/C25H30N8O3/c1-32-13-18(11-28-32)29-24-22(23(26)34)27-12-21(31-24)33-9-3-4-17(14-33)30-25(35)16-7-8-19(15-5-6-15)20(10-16)36-2/h7-8,10-13,15,17H,3-6,9,14H2,1-2H3,(H2,26,34)(H,29,31)(H,30,35)/t17-/m1/s1
InChIKeyQBJHYBMGVGNFTP-QGZVFWFLSA-N
XLogP2.34
TPSA140.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548303
US10344025, Example 255
CID 118627264
3-Methoxy-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
CID 11068509
US10344025, Example 192
CID 118626789
4-N-cyclopropyl-5-N-[(7R)-2-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414958
(3-Ethoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10621987
3-Tert-butyl-5-[3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-methoxyphenyl]-1-(3-hydroxypropyl)-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one
CID 71624873
3-Tert-butyl-5-[3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-methoxyphenyl]-1-(2-hydroxyethyl)-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one
CID 71624995
8-[4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137175178
8-[4-[2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137175253
8-[4-[2-[4-[3-(2-methylpropoxy)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 155536799
8-[4-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 155549007

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-[(4-cyclopropyl-3-methoxybenzoyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[(3R)-3-[(4-cyclopropyl-3-methoxybenzoyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 145201384) is 5-[(3R)-3-[(4-cyclopropyl-3-methoxybenzoyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3R)-3-[(4-cyclopropyl-3-methoxybenzoyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3R)-3-[(4-cyclopropyl-3-methoxybenzoyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is COc1cc(C(=O)N[C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4cnn(C)c4)n3)C2)ccc1C1CC1.
What is the InChIKey of 5-[(3R)-3-[(4-cyclopropyl-3-methoxybenzoyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The InChIKey is QBJHYBMGVGNFTP-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H30N8O3/c1-32-13-18(11-28-32)29-24-22(23(26)34)27-12-21(31-24)33-9-3-4-17(14-33)30-25(35)16-7-8-19(15-5-6-15)20(10-16)36-2/h7-8,10-13,15,17H,3-6,9,14H2,1-2H3,(H2,26,34)(H,29,31)(H,30,35)/t17-/m1/s1.
What are the key properties of 5-[(3R)-3-[(4-cyclopropyl-3-methoxybenzoyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
5-[(3R)-3-[(4-cyclopropyl-3-methoxybenzoyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-[(4-cyclopropyl-3-methoxybenzoyl)amino]piperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 145201384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).