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

C16H14ClN5O2 — CID 175511414

IUPAC(6-chloropyrimidin-4-yl) N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
SMILESO=C(NCc1cn2cc(C3CC3)ccc2n1)Oc1cc(Cl)ncn1
InChIInChI=1S/C16H14ClN5O2/c17-13-5-15(20-9-19-13)24-16(23)18-6-12-8-22-7-11(10-1-2-10)3-4-14(22)21-12/h3-5,7-10H,1-2,6H2,(H,18,23)
InChIKeyYQQGBYQIEXWQHU-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.94
Rot. Bonds4

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

(6-chloropyrimidin-4-yl) N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate (PubChem CID 175511414) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is (6-chloropyrimidin-4-yl) N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate.

Molecular Properties

Compound Name(6-chloropyrimidin-4-yl) N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
PubChem CID175511414
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name(6-chloropyrimidin-4-yl) N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
SMILESO=C(NCc1cn2cc(C3CC3)ccc2n1)Oc1cc(Cl)ncn1
InChIInChI=1S/C16H14ClN5O2/c17-13-5-15(20-9-19-13)24-16(23)18-6-12-8-22-7-11(10-1-2-10)3-4-14(22)21-12/h3-5,7-10H,1-2,6H2,(H,18,23)
InChIKeyYQQGBYQIEXWQHU-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate
CID 175511413
ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate
CID 165130837
tert-butyl N-[5-chloro-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyloxy]-2-nitrophenyl]sulfonylcarbamate
CID 175521496
tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate
CID 165131145
cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1,2-dicarboxamide
CID 175616966
N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine
CID 165131140
ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487437
ethane;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 156707965
N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 165131574
trans-(1R,2R)-2-(3-amino-5-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 165133172
2-(5-chloro-2-hydroxyphenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 170774608
methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487985

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrimidin-4-yl) N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate?
The IUPAC name of (6-chloropyrimidin-4-yl) N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate (CID 175511414) is (6-chloropyrimidin-4-yl) N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate.
What is the SMILES notation for (6-chloropyrimidin-4-yl) N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate?
The canonical SMILES for (6-chloropyrimidin-4-yl) N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate is O=C(NCc1cn2cc(C3CC3)ccc2n1)Oc1cc(Cl)ncn1.
What is the InChIKey of (6-chloropyrimidin-4-yl) N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate?
The InChIKey is YQQGBYQIEXWQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c17-13-5-15(20-9-19-13)24-16(23)18-6-12-8-22-7-11(10-1-2-10)3-4-14(22)21-12/h3-5,7-10H,1-2,6H2,(H,18,23).
What are the key properties of (6-chloropyrimidin-4-yl) N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate?
(6-chloropyrimidin-4-yl) N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate has a molecular weight of 343.77 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrimidin-4-yl) N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate is sourced from PubChem (CID 175511414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).