3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide

C20H19N7O2 — CID 66678363

IUPAC3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1cccc(-c2nc3cc(C(=O)NCCO)ccn3c2-c2ccnc(N)n2)n1
InChIInChI=1S/C20H19N7O2/c1-12-3-2-4-14(24-12)17-18(15-5-7-23-20(21)25-15)27-9-6-13(11-16(27)26-17)19(29)22-8-10-28/h2-7,9,11,28H,8,10H2,1H3,(H,22,29)(H2,21,23,25)
InChIKeyQNKDCPDOULOXBJ-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.47
Rot. Bonds5

About 3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide

3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 66678363) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID66678363
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1cccc(-c2nc3cc(C(=O)NCCO)ccn3c2-c2ccnc(N)n2)n1
InChIInChI=1S/C20H19N7O2/c1-12-3-2-4-14(24-12)17-18(15-5-7-23-20(21)25-15)27-9-6-13(11-16(27)26-17)19(29)22-8-10-28/h2-7,9,11,28H,8,10H2,1H3,(H,22,29)(H2,21,23,25)
InChIKeyQNKDCPDOULOXBJ-UHFFFAOYSA-N
XLogP1.47
TPSA131.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide (CID 66678363) is 3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide is Cc1cccc(-c2nc3cc(C(=O)NCCO)ccn3c2-c2ccnc(N)n2)n1.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is QNKDCPDOULOXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-12-3-2-4-14(24-12)17-18(15-5-7-23-20(21)25-15)27-9-6-13(11-16(27)26-17)19(29)22-8-10-28/h2-7,9,11,28H,8,10H2,1H3,(H,22,29)(H2,21,23,25).
What are the key properties of 3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide?
3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 66678363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).