5-[(2R,3R)-3-[(2-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxamide

C26H32N8O2 — CID 156628547

IUPAC5-[(2R,3R)-3-[(2-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCc1nn(C)cc1Nc1nc(N2CCC[C@@H](NC(=O)c3ccccc3C3CC3)[C@H]2C)cnc1C(N)=O
InChIInChI=1S/C26H32N8O2/c1-15-21(14-33(3)32-15)29-25-23(24(27)35)28-13-22(31-25)34-12-6-9-20(16(34)2)30-26(36)19-8-5-4-7-18(19)17-10-11-17/h4-5,7-8,13-14,16-17,20H,6,9-12H2,1-3H3,(H2,27,35)(H,29,31)(H,30,36)/t16-,20-/m1/s1
InChIKeyIMXFFWOQIPUUOZ-OXQOHEQNSA-N
MW488.60 g/mol
LogP3.03
Rot. Bonds7

About 5-[(2R,3R)-3-[(2-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxamide

5-[(2R,3R)-3-[(2-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 156628547) has the molecular formula C26H32N8O2 and a molecular weight of 488.60 g/mol. Its IUPAC name is 5-[(2R,3R)-3-[(2-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R,3R)-3-[(2-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxamide
PubChem CID156628547
Molecular FormulaC26H32N8O2
Molecular Weight488.60 g/mol
Exact Mass488.26
IUPAC Name5-[(2R,3R)-3-[(2-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCc1nn(C)cc1Nc1nc(N2CCC[C@@H](NC(=O)c3ccccc3C3CC3)[C@H]2C)cnc1C(N)=O
InChIInChI=1S/C26H32N8O2/c1-15-21(14-33(3)32-15)29-25-23(24(27)35)28-13-22(31-25)34-12-6-9-20(16(34)2)30-26(36)19-8-5-4-7-18(19)17-10-11-17/h4-5,7-8,13-14,16-17,20H,6,9-12H2,1-3H3,(H2,27,35)(H,29,31)(H,30,36)/t16-,20-/m1/s1
InChIKeyIMXFFWOQIPUUOZ-OXQOHEQNSA-N
XLogP3.03
TPSA131.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(2S,3R)-3-benzamido-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 118114547
5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[4-(4-methyl-3-oxopiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 135361944
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
3-[4-(1-cyclobutylpiperidin-4-yl)anilino]-5-[3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]pyrazine-2-carboxamide
CID 123227868
N-[(2R,3R)-1-[5-carbamoyl-6-(quinolin-6-ylamino)pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide
CID 140930432
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
5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carboxamide
CID 158517171
5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrrol-3-yl)amino]pyrazine-2-carboxamide
CID 158790760
5-[(2R,3S)-3-[2-(2-chloro-4-cyclopropylphenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrrol-3-yl)amino]pyrazine-2-carboxamide
CID 158790761
(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
5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide
CID 147867993
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

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R)-3-[(2-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[(2R,3R)-3-[(2-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 156628547) is 5-[(2R,3R)-3-[(2-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2R,3R)-3-[(2-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2R,3R)-3-[(2-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxamide is Cc1nn(C)cc1Nc1nc(N2CCC[C@@H](NC(=O)c3ccccc3C3CC3)[C@H]2C)cnc1C(N)=O.
What is the InChIKey of 5-[(2R,3R)-3-[(2-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The InChIKey is IMXFFWOQIPUUOZ-OXQOHEQNSA-N. The full InChI is InChI=1S/C26H32N8O2/c1-15-21(14-33(3)32-15)29-25-23(24(27)35)28-13-22(31-25)34-12-6-9-20(16(34)2)30-26(36)19-8-5-4-7-18(19)17-10-11-17/h4-5,7-8,13-14,16-17,20H,6,9-12H2,1-3H3,(H2,27,35)(H,29,31)(H,30,36)/t16-,20-/m1/s1.
What are the key properties of 5-[(2R,3R)-3-[(2-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
5-[(2R,3R)-3-[(2-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 488.60 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3R)-3-[(2-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 156628547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).