N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C13H8Cl2N8 — CID 133377232

IUPACN-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESClc1cnc(-n2cc(Nc3ncnc4[nH]ncc34)cn2)c(Cl)c1
InChIInChI=1S/C13H8Cl2N8/c14-7-1-10(15)13(16-2-7)23-5-8(3-20-23)21-11-9-4-19-22-12(9)18-6-17-11/h1-6H,(H2,17,18,19,21,22)
InChIKeyIEELCJILCWYVRB-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.98
Rot. Bonds3

About N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133377232) has the molecular formula C13H8Cl2N8 and a molecular weight of 347.17 g/mol. Its IUPAC name is N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133377232
Molecular FormulaC13H8Cl2N8
Molecular Weight347.17 g/mol
Exact Mass346.02
IUPAC NameN-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESClc1cnc(-n2cc(Nc3ncnc4[nH]ncc34)cn2)c(Cl)c1
InChIInChI=1S/C13H8Cl2N8/c14-7-1-10(15)13(16-2-7)23-5-8(3-20-23)21-11-9-4-19-22-12(9)18-6-17-11/h1-6H,(H2,17,18,19,21,22)
InChIKeyIEELCJILCWYVRB-UHFFFAOYSA-N
XLogP2.98
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine
CID 61175443
N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(difluoromethyl)quinazolin-4-amine
CID 133377215
N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-4-methylpyrimidin-2-amine
CID 133377216
3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile
CID 133377207
N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide
CID 166225847
3-amino-N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]butanamide;hydrochloride
CID 120873162
N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide
CID 133276027
N-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 110875095
N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 711496
N-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 91211026
N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 91407901
3-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea
CID 97341220

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 133377232) is N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Clc1cnc(-n2cc(Nc3ncnc4[nH]ncc34)cn2)c(Cl)c1.
What is the InChIKey of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is IEELCJILCWYVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N8/c14-7-1-10(15)13(16-2-7)23-5-8(3-20-23)21-11-9-4-19-22-12(9)18-6-17-11/h1-6H,(H2,17,18,19,21,22).
What are the key properties of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 347.17 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133377232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).