tert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate

C20H23ClN6O2 — CID 165131798

IUPACtert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C2CC2)cn2cc(CNc3cc(Cl)ncn3)nc12
InChIInChI=1S/C20H23ClN6O2/c1-20(2,3)29-19(28)26-15-6-13(12-4-5-12)9-27-10-14(25-18(15)27)8-22-17-7-16(21)23-11-24-17/h6-7,9-12H,4-5,8H2,1-3H3,(H,26,28)(H,22,23,24)
InChIKeyBVKLDAVAQYMWGU-UHFFFAOYSA-N
MW414.90 g/mol
LogP4.61
Rot. Bonds5

About tert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate

tert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate (PubChem CID 165131798) has the molecular formula C20H23ClN6O2 and a molecular weight of 414.90 g/mol. Its IUPAC name is tert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate
PubChem CID165131798
Molecular FormulaC20H23ClN6O2
Molecular Weight414.90 g/mol
Exact Mass414.16
IUPAC Nametert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C2CC2)cn2cc(CNc3cc(Cl)ncn3)nc12
InChIInChI=1S/C20H23ClN6O2/c1-20(2,3)29-19(28)26-15-6-13(12-4-5-12)9-27-10-14(25-18(15)27)8-22-17-7-16(21)23-11-24-17/h6-7,9-12H,4-5,8H2,1-3H3,(H,26,28)(H,22,23,24)
InChIKeyBVKLDAVAQYMWGU-UHFFFAOYSA-N
XLogP4.61
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.90
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one
CID 165131478
(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate
CID 175511413
tert-butyl N-[4-chloro-3-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-5-fluorophenyl]carbamate
CID 165133538
tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate
CID 165131145
N-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide
CID 165133161
cis-(1R,2R)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 175616964
N-[6-[[6-cyclopropyl-8-[[2-(dimethylamino)acetyl]-(2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 165132760
N-[6-[[8-(azetidin-3-yloxy)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 171758423
2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 170774731
2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 170774625
formic acid;trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 175784658
trans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 175616674

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate (CID 165131798) is tert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate is CC(C)(C)OC(=O)Nc1cc(C2CC2)cn2cc(CNc3cc(Cl)ncn3)nc12.
What is the InChIKey of tert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate?
The InChIKey is BVKLDAVAQYMWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O2/c1-20(2,3)29-19(28)26-15-6-13(12-4-5-12)9-27-10-14(25-18(15)27)8-22-17-7-16(21)23-11-24-17/h6-7,9-12H,4-5,8H2,1-3H3,(H,26,28)(H,22,23,24).
What are the key properties of tert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate?
tert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate has a molecular weight of 414.90 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate is sourced from PubChem (CID 165131798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).