N-[3-[6-[(2R)-2-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

C24H27N11O2 — CID 166768327

IUPACN-[3-[6-[(2R)-2-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC[C@@H]1CN(c2cc(-c3n[nH]c4ccc(NC(=O)C5=C(C)N(C)c6nnnn6C5)cc34)ncn2)CCO1
InChIInChI=1S/C24H27N11O2/c1-4-16-11-34(7-8-37-16)21-10-20(25-13-26-21)22-17-9-15(5-6-19(17)28-29-22)27-23(36)18-12-35-24(30-31-32-35)33(3)14(18)2/h5-6,9-10,13,16H,4,7-8,11-12H2,1-3H3,(H,27,36)(H,28,29)/t16-/m1/s1
InChIKeyLAAZZZVTBKZHEC-MRXNPFEDSA-N
MW501.56 g/mol
LogP1.98
Rot. Bonds5

About N-[3-[6-[(2R)-2-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

N-[3-[6-[(2R)-2-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 166768327) has the molecular formula C24H27N11O2 and a molecular weight of 501.56 g/mol. Its IUPAC name is N-[3-[6-[(2R)-2-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-[6-[(2R)-2-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID166768327
Molecular FormulaC24H27N11O2
Molecular Weight501.56 g/mol
Exact Mass501.23
IUPAC NameN-[3-[6-[(2R)-2-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC[C@@H]1CN(c2cc(-c3n[nH]c4ccc(NC(=O)C5=C(C)N(C)c6nnnn6C5)cc34)ncn2)CCO1
InChIInChI=1S/C24H27N11O2/c1-4-16-11-34(7-8-37-16)21-10-20(25-13-26-21)22-17-9-15(5-6-19(17)28-29-22)27-23(36)18-12-35-24(30-31-32-35)33(3)14(18)2/h5-6,9-10,13,16H,4,7-8,11-12H2,1-3H3,(H,27,36)(H,28,29)/t16-/m1/s1
InChIKeyLAAZZZVTBKZHEC-MRXNPFEDSA-N
XLogP1.98
TPSA142.87 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.56
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[3-[6-[(2R)-2-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[(2R)-2-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-[6-[(2R)-2-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 166768327) is N-[3-[6-[(2R)-2-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-[6-[(2R)-2-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-[6-[(2R)-2-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is CC[C@@H]1CN(c2cc(-c3n[nH]c4ccc(NC(=O)C5=C(C)N(C)c6nnnn6C5)cc34)ncn2)CCO1.
What is the InChIKey of N-[3-[6-[(2R)-2-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is LAAZZZVTBKZHEC-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27N11O2/c1-4-16-11-34(7-8-37-16)21-10-20(25-13-26-21)22-17-9-15(5-6-19(17)28-29-22)27-23(36)18-12-35-24(30-31-32-35)33(3)14(18)2/h5-6,9-10,13,16H,4,7-8,11-12H2,1-3H3,(H,27,36)(H,28,29)/t16-/m1/s1.
What are the key properties of N-[3-[6-[(2R)-2-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[3-[6-[(2R)-2-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 501.56 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[(2R)-2-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 166768327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).