6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide

C25H22N8O — CID 137381903

IUPAC6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)NC(=O)c1cc2ccc(-c3nc(Nc4ccc5[nH]ncc5c4)c4[nH]ccc4n3)cc2[nH]1
InChIInChI=1S/C25H22N8O/c1-13(2)28-25(34)21-10-14-3-4-15(11-20(14)30-21)23-31-19-7-8-26-22(19)24(32-23)29-17-5-6-18-16(9-17)12-27-33-18/h3-13,26,30H,1-2H3,(H,27,33)(H,28,34)(H,29,31,32)
InChIKeyYZXVGWRJCLDHOF-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.86
Rot. Bonds5

About 6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide

6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 137381903) has the molecular formula C25H22N8O and a molecular weight of 450.51 g/mol. Its IUPAC name is 6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide
PubChem CID137381903
Molecular FormulaC25H22N8O
Molecular Weight450.51 g/mol
Exact Mass450.19
IUPAC Name6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)NC(=O)c1cc2ccc(-c3nc(Nc4ccc5[nH]ncc5c4)c4[nH]ccc4n3)cc2[nH]1
InChIInChI=1S/C25H22N8O/c1-13(2)28-25(34)21-10-14-3-4-15(11-20(14)30-21)23-31-19-7-8-26-22(19)24(32-23)29-17-5-6-18-16(9-17)12-27-33-18/h3-13,26,30H,1-2H3,(H,27,33)(H,28,34)(H,29,31,32)
InChIKeyYZXVGWRJCLDHOF-UHFFFAOYSA-N
XLogP4.86
TPSA127.17 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-6-[4-[4-(1H-pyrazol-4-yl)anilino]thieno[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137379387
2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 145164677
N-[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]-6-[4-(1H-indazol-5-ylamino)-5,6-dimethylpyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137381639
3,9-diazaspiro[5.5]undecan-3-yl-[6-[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-1H-indol-2-yl]methanone
CID 137387846
6-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 137369806
6-[4-(1H-indazol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
CID 137370324
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 11950170
6-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]-1H-indole-2-carbaldehyde
CID 166920660
N-[(1E,3Z)-1,4-diaminopenta-1,3-dien-2-yl]-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 166862949
N-(3-chloropyridazin-4-yl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137369649
N-[5-fluoro-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 166862856
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[3-(trifluoromethyl)pyridazin-4-yl]-1H-indole-2-carboxamide
CID 137382052

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide?
The IUPAC name of 6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide (CID 137381903) is 6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for 6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide is CC(C)NC(=O)c1cc2ccc(-c3nc(Nc4ccc5[nH]ncc5c4)c4[nH]ccc4n3)cc2[nH]1.
What is the InChIKey of 6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide?
The InChIKey is YZXVGWRJCLDHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O/c1-13(2)28-25(34)21-10-14-3-4-15(11-20(14)30-21)23-31-19-7-8-26-22(19)24(32-23)29-17-5-6-18-16(9-17)12-27-33-18/h3-13,26,30H,1-2H3,(H,27,33)(H,28,34)(H,29,31,32).
What are the key properties of 6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide?
6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 4.86, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 137381903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).