N-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide

C19H21N7O2 — CID 165133161

IUPACN-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cc(C2CC2)cn2cc(CNc3cc(NC=O)ncn3)nc12
InChIInChI=1S/C19H21N7O2/c1-12(28)25(2)16-5-14(13-3-4-13)8-26-9-15(24-19(16)26)7-20-17-6-18(23-11-27)22-10-21-17/h5-6,8-11,13H,3-4,7H2,1-2H3,(H2,20,21,22,23,27)
InChIKeyORQSCWFIYMFWEB-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.16
Rot. Bonds7

About N-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide

N-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide (PubChem CID 165133161) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide
PubChem CID165133161
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC NameN-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cc(C2CC2)cn2cc(CNc3cc(NC=O)ncn3)nc12
InChIInChI=1S/C19H21N7O2/c1-12(28)25(2)16-5-14(13-3-4-13)8-26-9-15(24-19(16)26)7-20-17-6-18(23-11-27)22-10-21-17/h5-6,8-11,13H,3-4,7H2,1-2H3,(H2,20,21,22,23,27)
InChIKeyORQSCWFIYMFWEB-UHFFFAOYSA-N
XLogP2.16
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide?
The IUPAC name of N-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide (CID 165133161) is N-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide.
What is the SMILES notation for N-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide?
The canonical SMILES for N-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide is CC(=O)N(C)c1cc(C2CC2)cn2cc(CNc3cc(NC=O)ncn3)nc12.
What is the InChIKey of N-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide?
The InChIKey is ORQSCWFIYMFWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-12(28)25(2)16-5-14(13-3-4-13)8-26-9-15(24-19(16)26)7-20-17-6-18(23-11-27)22-10-21-17/h5-6,8-11,13H,3-4,7H2,1-2H3,(H2,20,21,22,23,27).
What are the key properties of N-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide?
N-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide has a molecular weight of 379.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide is sourced from PubChem (CID 165133161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).