N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide

C25H29N9O — CID 138588746

IUPACN-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2cc3cc(-c4cncc(NC5CCN(C)CC5)n4)ncc3cn2)cn1
InChIInChI=1S/C25H29N9O/c1-16(2)34-15-19(12-29-34)25(35)32-23-9-17-8-21(27-10-18(17)11-28-23)22-13-26-14-24(31-22)30-20-4-6-33(3)7-5-20/h8-16,20H,4-7H2,1-3H3,(H,30,31)(H,28,32,35)
InChIKeyIJMDAXVRRANTBQ-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.62
Rot. Bonds6

About N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide

N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 138588746) has the molecular formula C25H29N9O and a molecular weight of 471.57 g/mol. Its IUPAC name is N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID138588746
Molecular FormulaC25H29N9O
Molecular Weight471.57 g/mol
Exact Mass471.25
IUPAC NameN-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2cc3cc(-c4cncc(NC5CCN(C)CC5)n4)ncc3cn2)cn1
InChIInChI=1S/C25H29N9O/c1-16(2)34-15-19(12-29-34)25(35)32-23-9-17-8-21(27-10-18(17)11-28-23)22-13-26-14-24(31-22)30-20-4-6-33(3)7-5-20/h8-16,20H,4-7H2,1-3H3,(H,30,31)(H,28,32,35)
InChIKeyIJMDAXVRRANTBQ-UHFFFAOYSA-N
XLogP3.62
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide (CID 138588746) is N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)Nc2cc3cc(-c4cncc(NC5CCN(C)CC5)n4)ncc3cn2)cn1.
What is the InChIKey of N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is IJMDAXVRRANTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O/c1-16(2)34-15-19(12-29-34)25(35)32-23-9-17-8-21(27-10-18(17)11-28-23)22-13-26-14-24(31-22)30-20-4-6-33(3)7-5-20/h8-16,20H,4-7H2,1-3H3,(H,30,31)(H,28,32,35).
What are the key properties of N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 471.57 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 138588746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).