2-chloro-N-(1H-indazol-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine

C14H11ClN6 — CID 166129309

IUPAC2-chloro-N-(1H-indazol-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCn1ccc2nc(Cl)nc(Nc3n[nH]c4ccccc34)c21
InChIInChI=1S/C14H11ClN6/c1-21-7-6-10-11(21)13(18-14(15)16-10)17-12-8-4-2-3-5-9(8)19-20-12/h2-7H,1H3,(H2,16,17,18,19,20)
InChIKeyYUNWHIONTCIIQN-UHFFFAOYSA-N
MW298.74 g/mol
LogP3.24
Rot. Bonds2

About 2-chloro-N-(1H-indazol-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine

2-chloro-N-(1H-indazol-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 166129309) has the molecular formula C14H11ClN6 and a molecular weight of 298.74 g/mol. Its IUPAC name is 2-chloro-N-(1H-indazol-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1H-indazol-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID166129309
Molecular FormulaC14H11ClN6
Molecular Weight298.74 g/mol
Exact Mass298.07
IUPAC Name2-chloro-N-(1H-indazol-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCn1ccc2nc(Cl)nc(Nc3n[nH]c4ccccc34)c21
InChIInChI=1S/C14H11ClN6/c1-21-7-6-10-11(21)13(18-14(15)16-10)17-12-8-4-2-3-5-9(8)19-20-12/h2-7H,1H3,(H2,16,17,18,19,20)
InChIKeyYUNWHIONTCIIQN-UHFFFAOYSA-N
XLogP3.24
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine
CID 20626340
N-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine
CID 166128462
N-(2-methylphenyl)-1H-indazol-3-amine
CID 59097627
4-N-(1H-indazol-3-yl)benzene-1,4-diamine
CID 142650231
N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine
CID 166129287
N-(4-bromo-2,5-dimethylphenyl)-1H-indazol-3-amine
CID 177034353
N-(4-methoxypyridazin-3-yl)-1H-indazol-3-amine
CID 166129517
N-(1H-indazol-3-yl)-1-methylindole-4-carboxamide
CID 112527943
N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
CID 59213016
N-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine
CID 134192218
N-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide
CID 158445633
3-[[2-(2-chlorophenyl)-5-methyl-6-(sulfinoamino)pyrimidin-4-yl]amino]-1H-indazole
CID 66804943

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-indazol-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1H-indazol-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine (CID 166129309) is 2-chloro-N-(1H-indazol-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1H-indazol-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1H-indazol-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine is Cn1ccc2nc(Cl)nc(Nc3n[nH]c4ccccc34)c21.
What is the InChIKey of 2-chloro-N-(1H-indazol-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is YUNWHIONTCIIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6/c1-21-7-6-10-11(21)13(18-14(15)16-10)17-12-8-4-2-3-5-9(8)19-20-12/h2-7H,1H3,(H2,16,17,18,19,20).
What are the key properties of 2-chloro-N-(1H-indazol-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
2-chloro-N-(1H-indazol-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 298.74 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-indazol-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166129309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).