N-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C15H12N6 — CID 91211026

IUPACN-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1cc(Nc2ncnc3[nH]ncc23)cc(-n2cccc2)c1
InChIInChI=1S/C15H12N6/c1-2-7-21(6-1)12-5-3-4-11(8-12)19-14-13-9-18-20-15(13)17-10-16-14/h1-10H,(H2,16,17,18,19,20)
InChIKeyRSTPIQPNIFLDFL-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.89
Rot. Bonds3

About N-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 91211026) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID91211026
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC NameN-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1cc(Nc2ncnc3[nH]ncc23)cc(-n2cccc2)c1
InChIInChI=1S/C15H12N6/c1-2-7-21(6-1)12-5-3-4-11(8-12)19-14-13-9-18-20-15(13)17-10-16-14/h1-10H,(H2,16,17,18,19,20)
InChIKeyRSTPIQPNIFLDFL-UHFFFAOYSA-N
XLogP2.89
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 711496
N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 91407901
N-methyl-N-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]acetamide
CID 133277106
N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 42226838
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 18277477
N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133377232
ethyl 4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)benzoate
CID 875354
N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide
CID 133276027
N-[3-(3-fluorophenyl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133295919
N-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline
CID 54976273
1-(3-pyrrol-1-ylphenyl)pyrrole
CID 91674731
5-methyl-2-N-[4-[4-(methylamino)butylamino]phenyl]-4-N-(3-pyrrol-1-ylphenyl)pyrimidine-2,4-diamine
CID 143453226

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 91211026) is N-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is c1cc(Nc2ncnc3[nH]ncc23)cc(-n2cccc2)c1.
What is the InChIKey of N-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is RSTPIQPNIFLDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c1-2-7-21(6-1)12-5-3-4-11(8-12)19-14-13-9-18-20-15(13)17-10-16-14/h1-10H,(H2,16,17,18,19,20).
What are the key properties of N-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 276.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 91211026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).