1-[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)naphthalen-1-yl]-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine

C33H34N8 — CID 142539025

IUPAC1-[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)naphthalen-1-yl]-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
SMILESCNC1CC=C(c2cnc(N)c3c(-c4ccc(Cc5nc6ccncc6[nH]5)c5ccccc45)nc(C(C)C)n23)CC1
InChIInChI=1S/C33H34N8/c1-19(2)33-40-30(31-32(34)37-18-28(41(31)33)20-8-11-22(35-3)12-9-20)25-13-10-21(23-6-4-5-7-24(23)25)16-29-38-26-14-15-36-17-27(26)39-29/h4-8,10,13-15,17-19,22,35H,9,11-12,16H2,1-3H3,(H2,34,37)(H,38,39)
InChIKeyNRRMVPUJAOSVOS-UHFFFAOYSA-N
MW542.69 g/mol
LogP6.27
Rot. Bonds6

About 1-[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)naphthalen-1-yl]-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine

1-[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)naphthalen-1-yl]-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 142539025) has the molecular formula C33H34N8 and a molecular weight of 542.69 g/mol. Its IUPAC name is 1-[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)naphthalen-1-yl]-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)naphthalen-1-yl]-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
PubChem CID142539025
Molecular FormulaC33H34N8
Molecular Weight542.69 g/mol
Exact Mass542.29
IUPAC Name1-[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)naphthalen-1-yl]-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
SMILESCNC1CC=C(c2cnc(N)c3c(-c4ccc(Cc5nc6ccncc6[nH]5)c5ccccc45)nc(C(C)C)n23)CC1
InChIInChI=1S/C33H34N8/c1-19(2)33-40-30(31-32(34)37-18-28(41(31)33)20-8-11-22(35-3)12-9-20)25-13-10-21(23-6-4-5-7-24(23)25)16-29-38-26-14-15-36-17-27(26)39-29/h4-8,10,13-15,17-19,22,35H,9,11-12,16H2,1-3H3,(H2,34,37)(H,38,39)
InChIKeyNRRMVPUJAOSVOS-UHFFFAOYSA-N
XLogP6.27
TPSA109.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.69
LogP ≤ 56.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)naphthalen-1-yl]-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)naphthalen-1-yl]-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)naphthalen-1-yl]-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine (CID 142539025) is 1-[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)naphthalen-1-yl]-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)naphthalen-1-yl]-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)naphthalen-1-yl]-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine is CNC1CC=C(c2cnc(N)c3c(-c4ccc(Cc5nc6ccncc6[nH]5)c5ccccc45)nc(C(C)C)n23)CC1.
What is the InChIKey of 1-[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)naphthalen-1-yl]-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is NRRMVPUJAOSVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N8/c1-19(2)33-40-30(31-32(34)37-18-28(41(31)33)20-8-11-22(35-3)12-9-20)25-13-10-21(23-6-4-5-7-24(23)25)16-29-38-26-14-15-36-17-27(26)39-29/h4-8,10,13-15,17-19,22,35H,9,11-12,16H2,1-3H3,(H2,34,37)(H,38,39).
What are the key properties of 1-[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)naphthalen-1-yl]-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?
1-[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)naphthalen-1-yl]-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 542.69 g/mol, XLogP of 6.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)naphthalen-1-yl]-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 142539025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).