Skip to content

N-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine

C19H13ClN6O — CID 141211598

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESClc1cc(Nc2ncnc3cc[nH]c23)ccc1Oc1ccc2cn[nH]c2c1
InChIInChI=1S/C19H13ClN6O/c20-14-7-12(25-19-18-15(5-6-21-18)22-10-23-19)2-4-17(14)27-13-3-1-11-9-24-26-16(11)8-13/h1-10,21H,(H,24,26)(H,22,23,25)
InChIKeyRAINSHOSJXHNBQ-UHFFFAOYSA-N
MW376.81 g/mol
LogP5.02
Rot. Bonds4

About N-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine

N-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 141211598) has the molecular formula C19H13ClN6O and a molecular weight of 376.81 g/mol. Its IUPAC name is N-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID141211598
Molecular FormulaC19H13ClN6O
Molecular Weight376.81 g/mol
Exact Mass376.08
IUPAC NameN-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESClc1cc(Nc2ncnc3cc[nH]c23)ccc1Oc1ccc2cn[nH]c2c1
InChIInChI=1S/C19H13ClN6O/c20-14-7-12(25-19-18-15(5-6-21-18)22-10-23-19)2-4-17(14)27-13-3-1-11-9-24-26-16(11)8-13/h1-10,21H,(H,24,26)(H,22,23,25)
InChIKeyRAINSHOSJXHNBQ-UHFFFAOYSA-N
XLogP5.02
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.81
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine 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-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 141211598) is N-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine is Clc1cc(Nc2ncnc3cc[nH]c23)ccc1Oc1ccc2cn[nH]c2c1.
What is the InChIKey of N-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is RAINSHOSJXHNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN6O/c20-14-7-12(25-19-18-15(5-6-21-18)22-10-23-19)2-4-17(14)27-13-3-1-11-9-24-26-16(11)8-13/h1-10,21H,(H,24,26)(H,22,23,25).
What are the key properties of N-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
N-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 376.81 g/mol, XLogP of 5.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 141211598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.