3-[3-[4-(2,7-diazaspiro[3.4]octan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C30H29N7 — CID 171068875

IUPAC3-[3-[4-(2,7-diazaspiro[3.4]octan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CN2CC3(CCNC3)C2)cc1
InChIInChI=1S/C30H29N7/c31-27-24(7-4-15-33-27)28-35-26-13-12-25(22-5-2-1-3-6-22)34-29(26)37(28)23-10-8-21(9-11-23)17-36-19-30(20-36)14-16-32-18-30/h1-13,15,32H,14,16-20H2,(H2,31,33)
InChIKeyUINQPCPWRBGHEZ-UHFFFAOYSA-N
MW487.61 g/mol
LogP4.53
Rot. Bonds5

About 3-[3-[4-(2,7-diazaspiro[3.4]octan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[4-(2,7-diazaspiro[3.4]octan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171068875) has the molecular formula C30H29N7 and a molecular weight of 487.61 g/mol. Its IUPAC name is 3-[3-[4-(2,7-diazaspiro[3.4]octan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(2,7-diazaspiro[3.4]octan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID171068875
Molecular FormulaC30H29N7
Molecular Weight487.61 g/mol
Exact Mass487.25
IUPAC Name3-[3-[4-(2,7-diazaspiro[3.4]octan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CN2CC3(CCNC3)C2)cc1
InChIInChI=1S/C30H29N7/c31-27-24(7-4-15-33-27)28-35-26-13-12-25(22-5-2-1-3-6-22)34-29(26)37(28)23-10-8-21(9-11-23)17-36-19-30(20-36)14-16-32-18-30/h1-13,15,32H,14,16-20H2,(H2,31,33)
InChIKeyUINQPCPWRBGHEZ-UHFFFAOYSA-N
XLogP4.53
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2,7-diazaspiro[3.4]octan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[4-(2,7-diazaspiro[3.4]octan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171068875) is 3-[3-[4-(2,7-diazaspiro[3.4]octan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[4-(2,7-diazaspiro[3.4]octan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[4-(2,7-diazaspiro[3.4]octan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CN2CC3(CCNC3)C2)cc1.
What is the InChIKey of 3-[3-[4-(2,7-diazaspiro[3.4]octan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is UINQPCPWRBGHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7/c31-27-24(7-4-15-33-27)28-35-26-13-12-25(22-5-2-1-3-6-22)34-29(26)37(28)23-10-8-21(9-11-23)17-36-19-30(20-36)14-16-32-18-30/h1-13,15,32H,14,16-20H2,(H2,31,33).
What are the key properties of 3-[3-[4-(2,7-diazaspiro[3.4]octan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-[4-(2,7-diazaspiro[3.4]octan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 487.61 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2,7-diazaspiro[3.4]octan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171068875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).