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

C19H13ClN6O — CID 141211598

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

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Related Compounds

N-[3-chloro-4-(3-chlorophenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851430
5-(2-aminoethyl)-N-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 68660552
N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride
CID 12843607
2-[4-[3-chloro-4-(1H-indol-6-yloxy)anilino]-6,7-dihydropyrrolo[3,2-d]pyrimidin-5-yl]ethanol
CID 70930808
2-chloro-N-(1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 145164677
N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 16876701
N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene
CID 143477774
8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-yl)quinazolin-2-amine
CID 78210195
N-[4-(2,4-dichlorophenoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166464576
N-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine
CID 69028468
4-chloro-5H-pyrrolo[3,2-d]pyrimidine;3-[4-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]propanenitrile
CID 161482016
N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine
CID 91758367

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).