4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine

C25H30N6O — CID 134439871

IUPAC4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
SMILESCc1cccc(-c2nc3n(c2-c2ccnc(NCCN4CCOCC4)c2)[C@H]2CC[C@@H]3C2)n1
InChIInChI=1S/C25H30N6O/c1-17-3-2-4-21(28-17)23-24(31-20-6-5-19(15-20)25(31)29-23)18-7-8-26-22(16-18)27-9-10-30-11-13-32-14-12-30/h2-4,7-8,16,19-20H,5-6,9-15H2,1H3,(H,26,27)/t19-,20+/m1/s1
InChIKeyZZXGDBBWYFJMSC-UXHICEINSA-N
MW430.56 g/mol
LogP3.88
Rot. Bonds6

About 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine

4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine (PubChem CID 134439871) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
PubChem CID134439871
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
SMILESCc1cccc(-c2nc3n(c2-c2ccnc(NCCN4CCOCC4)c2)[C@H]2CC[C@@H]3C2)n1
InChIInChI=1S/C25H30N6O/c1-17-3-2-4-21(28-17)23-24(31-20-6-5-19(15-20)25(31)29-23)18-7-8-26-22(16-18)27-9-10-30-11-13-32-14-12-30/h2-4,7-8,16,19-20H,5-6,9-15H2,1H3,(H,26,27)/t19-,20+/m1/s1
InChIKeyZZXGDBBWYFJMSC-UXHICEINSA-N
XLogP3.88
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine 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-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The IUPAC name of 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine (CID 134439871) is 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine.
What is the SMILES notation for 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The canonical SMILES for 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine is Cc1cccc(-c2nc3n(c2-c2ccnc(NCCN4CCOCC4)c2)[C@H]2CC[C@@H]3C2)n1.
What is the InChIKey of 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The InChIKey is ZZXGDBBWYFJMSC-UXHICEINSA-N. The full InChI is InChI=1S/C25H30N6O/c1-17-3-2-4-21(28-17)23-24(31-20-6-5-19(15-20)25(31)29-23)18-7-8-26-22(16-18)27-9-10-30-11-13-32-14-12-30/h2-4,7-8,16,19-20H,5-6,9-15H2,1H3,(H,26,27)/t19-,20+/m1/s1.
What are the key properties of 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine has a molecular weight of 430.56 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine is sourced from PubChem (CID 134439871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).