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

C13H9ClN6 — CID 145164677

IUPAC2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESClc1nc(Nc2ccc3[nH]ncc3c2)c2[nH]ccc2n1
InChIInChI=1S/C13H9ClN6/c14-13-18-10-3-4-15-11(10)12(19-13)17-8-1-2-9-7(5-8)6-16-20-9/h1-6,15H,(H,16,20)(H,17,18,19)
InChIKeyHIHXCULPTQYXJB-UHFFFAOYSA-N
MW284.71 g/mol
LogP3.23
Rot. Bonds2

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

2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 145164677) has the molecular formula C13H9ClN6 and a molecular weight of 284.71 g/mol. Its IUPAC name is 2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID145164677
Molecular FormulaC13H9ClN6
Molecular Weight284.71 g/mol
Exact Mass284.06
IUPAC Name2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESClc1nc(Nc2ccc3[nH]ncc3c2)c2[nH]ccc2n1
InChIInChI=1S/C13H9ClN6/c14-13-18-10-3-4-15-11(10)12(19-13)17-8-1-2-9-7(5-8)6-16-20-9/h1-6,15H,(H,16,20)(H,17,18,19)
InChIKeyHIHXCULPTQYXJB-UHFFFAOYSA-N
XLogP3.23
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-(1H-pyrazol-4-yl)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 139474891
2-chloro-N-(1H-indazol-5-yl)-6,7-dimethylquinazolin-4-amine;N-(1H-indazol-5-yl)-2,6,7-trimethylquinazolin-4-amine
CID 160994357
N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
CID 22060782
6-[4-(1H-indazol-5-ylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 137381903
2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile
CID 170994334
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
CID 166380400
N-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 141211598
N-(1H-indol-5-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139017
7-chloro-N-(1H-indazol-5-yl)-2-pyridin-3-ylquinazolin-4-amine
CID 10292688
N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 58664274
2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine
CID 10221716

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 145164677) is 2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine is Clc1nc(Nc2ccc3[nH]ncc3c2)c2[nH]ccc2n1.
What is the InChIKey of 2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is HIHXCULPTQYXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN6/c14-13-18-10-3-4-15-11(10)12(19-13)17-8-1-2-9-7(5-8)6-16-20-9/h1-6,15H,(H,16,20)(H,17,18,19).
What are the key properties of 2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 284.71 g/mol, XLogP of 3.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 145164677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).