7-[1-amino-3-[(3S)-pyrrolidin-3-yl]iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C22H26N8 — CID 159005359

IUPAC7-[1-amino-3-[(3S)-pyrrolidin-3-yl]iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/[C@H]4CCNC4)cc3n2)c1
InChIInChI=1S/C22H26N8/c1-14(2)15-8-22(30-27-12-15)29-21-4-3-19-20(28-21)7-16(10-26-19)17(9-23)11-25-18-5-6-24-13-18/h3-4,7-12,14,18,24H,5-6,13,23H2,1-2H3,(H,28,29,30)/b17-9?,25-11+/t18-/m0/s1
InChIKeyKSKKALJPYWSVIU-QUOFUHOTSA-N
MW402.51 g/mol
LogP3.02
Rot. Bonds6

About 7-[1-amino-3-[(3S)-pyrrolidin-3-yl]iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-amino-3-[(3S)-pyrrolidin-3-yl]iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 159005359) has the molecular formula C22H26N8 and a molecular weight of 402.51 g/mol. Its IUPAC name is 7-[1-amino-3-[(3S)-pyrrolidin-3-yl]iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-amino-3-[(3S)-pyrrolidin-3-yl]iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID159005359
Molecular FormulaC22H26N8
Molecular Weight402.51 g/mol
Exact Mass402.23
IUPAC Name7-[1-amino-3-[(3S)-pyrrolidin-3-yl]iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/[C@H]4CCNC4)cc3n2)c1
InChIInChI=1S/C22H26N8/c1-14(2)15-8-22(30-27-12-15)29-21-4-3-19-20(28-21)7-16(10-26-19)17(9-23)11-25-18-5-6-24-13-18/h3-4,7-12,14,18,24H,5-6,13,23H2,1-2H3,(H,28,29,30)/b17-9?,25-11+/t18-/m0/s1
InChIKeyKSKKALJPYWSVIU-QUOFUHOTSA-N
XLogP3.02
TPSA114.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 7-[1-amino-3-[(3S)-pyrrolidin-3-yl]iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[1-amino-3-[(3S)-pyrrolidin-3-yl]iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-amino-3-[(3S)-pyrrolidin-3-yl]iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 159005359) is 7-[1-amino-3-[(3S)-pyrrolidin-3-yl]iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-amino-3-[(3S)-pyrrolidin-3-yl]iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-amino-3-[(3S)-pyrrolidin-3-yl]iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/[C@H]4CCNC4)cc3n2)c1.
What is the InChIKey of 7-[1-amino-3-[(3S)-pyrrolidin-3-yl]iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is KSKKALJPYWSVIU-QUOFUHOTSA-N. The full InChI is InChI=1S/C22H26N8/c1-14(2)15-8-22(30-27-12-15)29-21-4-3-19-20(28-21)7-16(10-26-19)17(9-23)11-25-18-5-6-24-13-18/h3-4,7-12,14,18,24H,5-6,13,23H2,1-2H3,(H,28,29,30)/b17-9?,25-11+/t18-/m0/s1.
What are the key properties of 7-[1-amino-3-[(3S)-pyrrolidin-3-yl]iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-amino-3-[(3S)-pyrrolidin-3-yl]iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 402.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-amino-3-[(3S)-pyrrolidin-3-yl]iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 159005359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).