(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate

C16H14ClN5O2 — CID 175511413

IUPAC(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate
SMILESO=C(Nc1cc(Cl)ncn1)OCc1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C16H14ClN5O2/c17-13-5-14(19-9-18-13)21-16(23)24-8-12-7-22-6-11(10-1-2-10)3-4-15(22)20-12/h3-7,9-10H,1-2,8H2,(H,18,19,21,23)
InChIKeyNNELBPJRSCVNDO-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.40
Rot. Bonds4

About (6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate

(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate (PubChem CID 175511413) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is (6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate.

Molecular Properties

Compound Name(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate
PubChem CID175511413
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate
SMILESO=C(Nc1cc(Cl)ncn1)OCc1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C16H14ClN5O2/c17-13-5-14(19-9-18-13)21-16(23)24-8-12-7-22-6-11(10-1-2-10)3-4-15(22)20-12/h3-7,9-10H,1-2,8H2,(H,18,19,21,23)
InChIKeyNNELBPJRSCVNDO-UHFFFAOYSA-N
XLogP3.40
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate?
The IUPAC name of (6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate (CID 175511413) is (6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate.
What is the SMILES notation for (6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate?
The canonical SMILES for (6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate is O=C(Nc1cc(Cl)ncn1)OCc1cn2cc(C3CC3)ccc2n1.
What is the InChIKey of (6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate?
The InChIKey is NNELBPJRSCVNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c17-13-5-14(19-9-18-13)21-16(23)24-8-12-7-22-6-11(10-1-2-10)3-4-15(22)20-12/h3-7,9-10H,1-2,8H2,(H,18,19,21,23).
What are the key properties of (6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate?
(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate has a molecular weight of 343.77 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate is sourced from PubChem (CID 175511413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).