5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

C25H32N8O3 — CID 157089669

IUPAC5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESC[C@@H]1[C@H](CC(=O)c2ccc(C(C)(C)O)cn2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1
InChIInChI=1S/C25H32N8O3/c1-15-16(10-20(34)19-8-7-17(11-27-19)25(2,3)36)6-5-9-33(15)21-13-28-22(23(26)35)24(31-21)30-18-12-29-32(4)14-18/h7-8,11-16,36H,5-6,9-10H2,1-4H3,(H2,26,35)(H,30,31)/t15-,16+/m1/s1
InChIKeySCYBEASKSYAUIH-CVEARBPZSA-N
MW492.58 g/mol
LogP2.55
Rot. Bonds8

About 5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 157089669) has the molecular formula C25H32N8O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is 5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
PubChem CID157089669
Molecular FormulaC25H32N8O3
Molecular Weight492.58 g/mol
Exact Mass492.26
IUPAC Name5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESC[C@@H]1[C@H](CC(=O)c2ccc(C(C)(C)O)cn2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1
InChIInChI=1S/C25H32N8O3/c1-15-16(10-20(34)19-8-7-17(11-27-19)25(2,3)36)6-5-9-33(15)21-13-28-22(23(26)35)24(31-21)30-18-12-29-32(4)14-18/h7-8,11-16,36H,5-6,9-10H2,1-4H3,(H2,26,35)(H,30,31)/t15-,16+/m1/s1
InChIKeySCYBEASKSYAUIH-CVEARBPZSA-N
XLogP2.55
TPSA152.15 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide with MolForge

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Related Compounds

US9586948, Example 40
CID 117872205
US9586948, Example 17
CID 117872492
US9586948, Example 49
CID 117873045
US9586948, Example 37
CID 117871492
7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(2H-triazol-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one
CID 68108247
US10239838, Example 49
CID 121413990
N-ethyl-N-(2-((6-(2-hydroxypropan-2-yl)pyridin-2-yl)(methyl)amino)ethyl)-3-(2H-1,2,3-triazol-2-yl)picolinamide
CID 121427037
(S)-7-((5-(3-(2-hydroxy-propan-2-yl)piperidin-1-yl)pyridin-2-yl)amino)-4-(4,5,6,7-tetrahydropyra-zolo[1,5-a]pyridin-3-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 156164181
7-[[5-[3-(2-Hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156396118
US20230286943, Example 124
CID 162362333
US20230286943, Example 117
CID 162362451
6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 155552158

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 157089669) is 5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is C[C@@H]1[C@H](CC(=O)c2ccc(C(C)(C)O)cn2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.
What is the InChIKey of 5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The InChIKey is SCYBEASKSYAUIH-CVEARBPZSA-N. The full InChI is InChI=1S/C25H32N8O3/c1-15-16(10-20(34)19-8-7-17(11-27-19)25(2,3)36)6-5-9-33(15)21-13-28-22(23(26)35)24(31-21)30-18-12-29-32(4)14-18/h7-8,11-16,36H,5-6,9-10H2,1-4H3,(H2,26,35)(H,30,31)/t15-,16+/m1/s1.
What are the key properties of 5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 157089669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).