N-(3-chloro-4-methoxyphenyl)-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C17H15ClN6O — CID 171343112

IUPACN-(3-chloro-4-methoxyphenyl)-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3c2ccn3-c2ccn(C)n2)cc1Cl
InChIInChI=1S/C17H15ClN6O/c1-23-7-6-15(22-23)24-8-5-12-16(19-10-20-17(12)24)21-11-3-4-14(25-2)13(18)9-11/h3-10H,1-2H3,(H,19,20,21)
InChIKeyKDUUQDKBHLSESC-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.56
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine

N-(3-chloro-4-methoxyphenyl)-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 171343112) has the molecular formula C17H15ClN6O and a molecular weight of 354.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID171343112
Molecular FormulaC17H15ClN6O
Molecular Weight354.80 g/mol
Exact Mass354.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3c2ccn3-c2ccn(C)n2)cc1Cl
InChIInChI=1S/C17H15ClN6O/c1-23-7-6-15(22-23)24-8-5-12-16(19-10-20-17(12)24)21-11-3-4-14(25-2)13(18)9-11/h3-10H,1-2H3,(H,19,20,21)
InChIKeyKDUUQDKBHLSESC-UHFFFAOYSA-N
XLogP3.56
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 171343112) is N-(3-chloro-4-methoxyphenyl)-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(Nc2ncnc3c2ccn3-c2ccn(C)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KDUUQDKBHLSESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O/c1-23-7-6-15(22-23)24-8-5-12-16(19-10-20-17(12)24)21-11-3-4-14(25-2)13(18)9-11/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
N-(3-chloro-4-methoxyphenyl)-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 354.80 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 171343112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).