6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide

C14H13ClN6O — CID 56751513

IUPAC6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cnc2n1CCCC2)c1cn2cc(Cl)cnc2n1
InChIInChI=1S/C14H13ClN6O/c15-9-5-17-14-18-10(8-20(14)7-9)13(22)19-12-6-16-11-3-1-2-4-21(11)12/h5-8H,1-4H2,(H,19,22)
InChIKeyNZUULCDQIMFQPI-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.17
Rot. Bonds2

About 6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide

6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 56751513) has the molecular formula C14H13ClN6O and a molecular weight of 316.75 g/mol. Its IUPAC name is 6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID56751513
Molecular FormulaC14H13ClN6O
Molecular Weight316.75 g/mol
Exact Mass316.08
IUPAC Name6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cnc2n1CCCC2)c1cn2cc(Cl)cnc2n1
InChIInChI=1S/C14H13ClN6O/c15-9-5-17-14-18-10(8-20(14)7-9)13(22)19-12-6-16-11-3-1-2-4-21(11)12/h5-8H,1-4H2,(H,19,22)
InChIKeyNZUULCDQIMFQPI-UHFFFAOYSA-N
XLogP2.17
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 56751513) is 6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide is O=C(Nc1cnc2n1CCCC2)c1cn2cc(Cl)cnc2n1.
What is the InChIKey of 6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is NZUULCDQIMFQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O/c15-9-5-17-14-18-10(8-20(14)7-9)13(22)19-12-6-16-11-3-1-2-4-21(11)12/h5-8H,1-4H2,(H,19,22).
What are the key properties of 6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 56751513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).