[4-[[4-[6-[(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone

C29H34N8O2 — CID 90288774

IUPAC[4-[[4-[6-[(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCC1Cn2cc1cc2Nc1ccc2ncc(-c3cnn(CC4CCN(C(=O)N5CCOCC5)CC4)c3)cc2n1
InChIInChI=1S/C29H34N8O2/c1-20-16-36-18-23(20)13-28(36)33-27-3-2-25-26(32-27)12-22(14-30-25)24-15-31-37(19-24)17-21-4-6-34(7-5-21)29(38)35-8-10-39-11-9-35/h2-3,12-15,18-21H,4-11,16-17H2,1H3,(H,32,33)
InChIKeyOAESRRKCHOEWIZ-UHFFFAOYSA-N
MW526.65 g/mol
LogP4.32
Rot. Bonds5

About [4-[[4-[6-[(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone

[4-[[4-[6-[(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 90288774) has the molecular formula C29H34N8O2 and a molecular weight of 526.65 g/mol. Its IUPAC name is [4-[[4-[6-[(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[4-[6-[(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID90288774
Molecular FormulaC29H34N8O2
Molecular Weight526.65 g/mol
Exact Mass526.28
IUPAC Name[4-[[4-[6-[(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCC1Cn2cc1cc2Nc1ccc2ncc(-c3cnn(CC4CCN(C(=O)N5CCOCC5)CC4)c3)cc2n1
InChIInChI=1S/C29H34N8O2/c1-20-16-36-18-23(20)13-28(36)33-27-3-2-25-26(32-27)12-22(14-30-25)24-15-31-37(19-24)17-21-4-6-34(7-5-21)29(38)35-8-10-39-11-9-35/h2-3,12-15,18-21H,4-11,16-17H2,1H3,(H,32,33)
InChIKeyOAESRRKCHOEWIZ-UHFFFAOYSA-N
XLogP4.32
TPSA93.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.65
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-[[4-[6-[(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[6-[(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[4-[6-[(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 90288774) is [4-[[4-[6-[(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[4-[6-[(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[4-[6-[(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone is CC1Cn2cc1cc2Nc1ccc2ncc(-c3cnn(CC4CCN(C(=O)N5CCOCC5)CC4)c3)cc2n1.
What is the InChIKey of [4-[[4-[6-[(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is OAESRRKCHOEWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N8O2/c1-20-16-36-18-23(20)13-28(36)33-27-3-2-25-26(32-27)12-22(14-30-25)24-15-31-37(19-24)17-21-4-6-34(7-5-21)29(38)35-8-10-39-11-9-35/h2-3,12-15,18-21H,4-11,16-17H2,1H3,(H,32,33).
What are the key properties of [4-[[4-[6-[(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
[4-[[4-[6-[(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 526.65 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[6-[(5-methyl-1-azabicyclo[2.2.1]hepta-2,4(7)-dien-2-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 90288774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).