6-amino-5-chloro-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide

C20H19ClN8O2 — CID 137223610

IUPAC6-amino-5-chloro-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1ncnc(N)c1Cl)c1cc(-c2nc3nc(C4(C)CC4)ccc3[nH]2)no1
InChIInChI=1S/C20H19ClN8O2/c1-9(25-19(30)15-14(21)16(22)24-8-23-15)12-7-11(29-31-12)18-26-10-3-4-13(20(2)5-6-20)27-17(10)28-18/h3-4,7-9H,5-6H2,1-2H3,(H,25,30)(H2,22,23,24)(H,26,27,28)
InChIKeyVZCHQCZECLNURJ-UHFFFAOYSA-N
MW438.88 g/mol
LogP3.18
Rot. Bonds5

About 6-amino-5-chloro-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide

6-amino-5-chloro-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide (PubChem CID 137223610) has the molecular formula C20H19ClN8O2 and a molecular weight of 438.88 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide
PubChem CID137223610
Molecular FormulaC20H19ClN8O2
Molecular Weight438.88 g/mol
Exact Mass438.13
IUPAC Name6-amino-5-chloro-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1ncnc(N)c1Cl)c1cc(-c2nc3nc(C4(C)CC4)ccc3[nH]2)no1
InChIInChI=1S/C20H19ClN8O2/c1-9(25-19(30)15-14(21)16(22)24-8-23-15)12-7-11(29-31-12)18-26-10-3-4-13(20(2)5-6-20)27-17(10)28-18/h3-4,7-9H,5-6H2,1-2H3,(H,25,30)(H2,22,23,24)(H,26,27,28)
InChIKeyVZCHQCZECLNURJ-UHFFFAOYSA-N
XLogP3.18
TPSA148.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.88
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-amino-5-chloro-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide (CID 137223610) is 6-amino-5-chloro-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide is CC(NC(=O)c1ncnc(N)c1Cl)c1cc(-c2nc3nc(C4(C)CC4)ccc3[nH]2)no1.
What is the InChIKey of 6-amino-5-chloro-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide?
The InChIKey is VZCHQCZECLNURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN8O2/c1-9(25-19(30)15-14(21)16(22)24-8-23-15)12-7-11(29-31-12)18-26-10-3-4-13(20(2)5-6-20)27-17(10)28-18/h3-4,7-9H,5-6H2,1-2H3,(H,25,30)(H2,22,23,24)(H,26,27,28).
What are the key properties of 6-amino-5-chloro-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide?
6-amino-5-chloro-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide has a molecular weight of 438.88 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 137223610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).