1-[3-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide

C27H30N8O2 — CID 67026495

IUPAC1-[3-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
SMILESCn1ccc(Nc2cc(-c3cc4cnccc4c(N4CCC(C(=O)N[C@@H]5CCOC5)CC4)n3)ccn2)n1
InChIInChI=1S/C27H30N8O2/c1-34-10-6-24(33-34)32-25-15-19(2-9-29-25)23-14-20-16-28-8-3-22(20)26(31-23)35-11-4-18(5-12-35)27(36)30-21-7-13-37-17-21/h2-3,6,8-10,14-16,18,21H,4-5,7,11-13,17H2,1H3,(H,30,36)(H,29,32,33)/t21-/m1/s1
InChIKeyVVZSJMZFCGNFOT-OAQYLSRUSA-N
MW498.59 g/mol
LogP3.29
Rot. Bonds6

About 1-[3-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide

1-[3-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide (PubChem CID 67026495) has the molecular formula C27H30N8O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is 1-[3-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
PubChem CID67026495
Molecular FormulaC27H30N8O2
Molecular Weight498.59 g/mol
Exact Mass498.25
IUPAC Name1-[3-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
SMILESCn1ccc(Nc2cc(-c3cc4cnccc4c(N4CCC(C(=O)N[C@@H]5CCOC5)CC4)n3)ccn2)n1
InChIInChI=1S/C27H30N8O2/c1-34-10-6-24(33-34)32-25-15-19(2-9-29-25)23-14-20-16-28-8-3-22(20)26(31-23)35-11-4-18(5-12-35)27(36)30-21-7-13-37-17-21/h2-3,6,8-10,14-16,18,21H,4-5,7,11-13,17H2,1H3,(H,30,36)(H,29,32,33)/t21-/m1/s1
InChIKeyVVZSJMZFCGNFOT-OAQYLSRUSA-N
XLogP3.29
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide (CID 67026495) is 1-[3-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide is Cn1ccc(Nc2cc(-c3cc4cnccc4c(N4CCC(C(=O)N[C@@H]5CCOC5)CC4)n3)ccn2)n1.
What is the InChIKey of 1-[3-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
The InChIKey is VVZSJMZFCGNFOT-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H30N8O2/c1-34-10-6-24(33-34)32-25-15-19(2-9-29-25)23-14-20-16-28-8-3-22(20)26(31-23)35-11-4-18(5-12-35)27(36)30-21-7-13-37-17-21/h2-3,6,8-10,14-16,18,21H,4-5,7,11-13,17H2,1H3,(H,30,36)(H,29,32,33)/t21-/m1/s1.
What are the key properties of 1-[3-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
1-[3-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 67026495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).