1'-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]

C31H32N4 — CID 73031682

IUPAC1'-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]
SMILESCC1CN(C2CCC(c3ccc(-c4nc5ccncc5[nH]4)cc3)C2)CCC12C=Cc1ccccc12
InChIInChI=1S/C31H32N4/c1-21-20-35(17-15-31(21)14-12-23-4-2-3-5-27(23)31)26-11-10-25(18-26)22-6-8-24(9-7-22)30-33-28-13-16-32-19-29(28)34-30/h2-9,12-14,16,19,21,25-26H,10-11,15,17-18,20H2,1H3,(H,33,34)
InChIKeyFGFLQLLKIVXVQN-UHFFFAOYSA-N
MW460.63 g/mol
LogP6.57
Rot. Bonds3

About 1'-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]

1'-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine] (PubChem CID 73031682) has the molecular formula C31H32N4 and a molecular weight of 460.63 g/mol. Its IUPAC name is 1'-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine].

Molecular Properties

Compound Name1'-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]
PubChem CID73031682
Molecular FormulaC31H32N4
Molecular Weight460.63 g/mol
Exact Mass460.26
IUPAC Name1'-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]
SMILESCC1CN(C2CCC(c3ccc(-c4nc5ccncc5[nH]4)cc3)C2)CCC12C=Cc1ccccc12
InChIInChI=1S/C31H32N4/c1-21-20-35(17-15-31(21)14-12-23-4-2-3-5-27(23)31)26-11-10-25(18-26)22-6-8-24(9-7-22)30-33-28-13-16-32-19-29(28)34-30/h2-9,12-14,16,19,21,25-26H,10-11,15,17-18,20H2,1H3,(H,33,34)
InChIKeyFGFLQLLKIVXVQN-UHFFFAOYSA-N
XLogP6.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.63
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]?
The IUPAC name of 1'-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine] (CID 73031682) is 1'-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine].
What is the SMILES notation for 1'-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]?
The canonical SMILES for 1'-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine] is CC1CN(C2CCC(c3ccc(-c4nc5ccncc5[nH]4)cc3)C2)CCC12C=Cc1ccccc12.
What is the InChIKey of 1'-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]?
The InChIKey is FGFLQLLKIVXVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4/c1-21-20-35(17-15-31(21)14-12-23-4-2-3-5-27(23)31)26-11-10-25(18-26)22-6-8-24(9-7-22)30-33-28-13-16-32-19-29(28)34-30/h2-9,12-14,16,19,21,25-26H,10-11,15,17-18,20H2,1H3,(H,33,34).
What are the key properties of 1'-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]?
1'-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine] has a molecular weight of 460.63 g/mol, XLogP of 6.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine] is sourced from PubChem (CID 73031682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).