3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide

C24H32N8O2 — CID 155712536

IUPAC3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide
SMILESCC(C)N1CCC(c2cccc(Cn3cc(NC(=O)c4nccnc4N)cn3)c2)CC1.NC=O
InChIInChI=1S/C23H29N7O.CH3NO/c1-16(2)29-10-6-18(7-11-29)19-5-3-4-17(12-19)14-30-15-20(13-27-30)28-23(31)21-22(24)26-9-8-25-21;2-1-3/h3-5,8-9,12-13,15-16,18H,6-7,10-11,14H2,1-2H3,(H2,24,26)(H,28,31);1H,(H2,2,3)
InChIKeyMFAFYVFDKIZUSC-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.25
Rot. Bonds6

About 3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide

3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide (PubChem CID 155712536) has the molecular formula C24H32N8O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide.

Molecular Properties

Compound Name3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide
PubChem CID155712536
Molecular FormulaC24H32N8O2
Molecular Weight464.57 g/mol
Exact Mass464.26
IUPAC Name3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide
SMILESCC(C)N1CCC(c2cccc(Cn3cc(NC(=O)c4nccnc4N)cn3)c2)CC1.NC=O
InChIInChI=1S/C23H29N7O.CH3NO/c1-16(2)29-10-6-18(7-11-29)19-5-3-4-17(12-19)14-30-15-20(13-27-30)28-23(31)21-22(24)26-9-8-25-21;2-1-3/h3-5,8-9,12-13,15-16,18H,6-7,10-11,14H2,1-2H3,(H2,24,26)(H,28,31);1H,(H2,2,3)
InChIKeyMFAFYVFDKIZUSC-UHFFFAOYSA-N
XLogP2.25
TPSA145.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212451
5-[[4-[(3-aminopyrazine-2-carbonyl)amino]pyrazol-1-yl]methyl]-2-fluorobenzoic acid
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3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
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3-amino-N-[1-[(3-amino-2-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212551
3-amino-N-[1-[[3-methyl-5-(propylcarbamoyl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212389
N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide
CID 89412134

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide?
The IUPAC name of 3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide (CID 155712536) is 3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide.
What is the SMILES notation for 3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide?
The canonical SMILES for 3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide is CC(C)N1CCC(c2cccc(Cn3cc(NC(=O)c4nccnc4N)cn3)c2)CC1.NC=O.
What is the InChIKey of 3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide?
The InChIKey is MFAFYVFDKIZUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O.CH3NO/c1-16(2)29-10-6-18(7-11-29)19-5-3-4-17(12-19)14-30-15-20(13-27-30)28-23(31)21-22(24)26-9-8-25-21;2-1-3/h3-5,8-9,12-13,15-16,18H,6-7,10-11,14H2,1-2H3,(H2,24,26)(H,28,31);1H,(H2,2,3).
What are the key properties of 3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide?
3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide has a molecular weight of 464.57 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[[3-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]pyrazine-2-carboxamide;formamide is sourced from PubChem (CID 155712536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).