tert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate

C31H43N5O2 — CID 176815698

IUPACtert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
SMILESCCC(Cc1cncc(N2CCCC2)c1)c1cn2cc(CN(CC3CCC3)C(=O)OC(C)(C)C)ccc2n1
InChIInChI=1S/C31H43N5O2/c1-5-26(15-25-16-27(18-32-17-25)34-13-6-7-14-34)28-22-35-20-24(11-12-29(35)33-28)21-36(19-23-9-8-10-23)30(37)38-31(2,3)4/h11-12,16-18,20,22-23,26H,5-10,13-15,19,21H2,1-4H3
InChIKeyPXWRZUBBXVVEST-UHFFFAOYSA-N
MW517.72 g/mol
LogP6.60
Rot. Bonds9

About tert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate

tert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate (PubChem CID 176815698) has the molecular formula C31H43N5O2 and a molecular weight of 517.72 g/mol. Its IUPAC name is tert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
PubChem CID176815698
Molecular FormulaC31H43N5O2
Molecular Weight517.72 g/mol
Exact Mass517.34
IUPAC Nametert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
SMILESCCC(Cc1cncc(N2CCCC2)c1)c1cn2cc(CN(CC3CCC3)C(=O)OC(C)(C)C)ccc2n1
InChIInChI=1S/C31H43N5O2/c1-5-26(15-25-16-27(18-32-17-25)34-13-6-7-14-34)28-22-35-20-24(11-12-29(35)33-28)21-36(19-23-9-8-10-23)30(37)38-31(2,3)4/h11-12,16-18,20,22-23,26H,5-10,13-15,19,21H2,1-4H3
InChIKeyPXWRZUBBXVVEST-UHFFFAOYSA-N
XLogP6.60
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.72
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate (CID 176815698) is tert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate is CCC(Cc1cncc(N2CCCC2)c1)c1cn2cc(CN(CC3CCC3)C(=O)OC(C)(C)C)ccc2n1.
What is the InChIKey of tert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate?
The InChIKey is PXWRZUBBXVVEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N5O2/c1-5-26(15-25-16-27(18-32-17-25)34-13-6-7-14-34)28-22-35-20-24(11-12-29(35)33-28)21-36(19-23-9-8-10-23)30(37)38-31(2,3)4/h11-12,16-18,20,22-23,26H,5-10,13-15,19,21H2,1-4H3.
What are the key properties of tert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate?
tert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate has a molecular weight of 517.72 g/mol, XLogP of 6.60, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate is sourced from PubChem (CID 176815698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).