4-N-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine

C14H12N8 — CID 135997586

IUPAC4-N-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2ccc3[nH]nc(-c4cn[nH]c4)c3c2)n1
InChIInChI=1S/C14H12N8/c15-14-16-4-3-12(20-14)19-9-1-2-11-10(5-9)13(22-21-11)8-6-17-18-7-8/h1-7H,(H,17,18)(H,21,22)(H3,15,16,19,20)
InChIKeyZNRNBFCBVNFHPK-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.07
Rot. Bonds3

About 4-N-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine

4-N-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine (PubChem CID 135997586) has the molecular formula C14H12N8 and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-N-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
PubChem CID135997586
Molecular FormulaC14H12N8
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name4-N-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2ccc3[nH]nc(-c4cn[nH]c4)c3c2)n1
InChIInChI=1S/C14H12N8/c15-14-16-4-3-12(20-14)19-9-1-2-11-10(5-9)13(22-21-11)8-6-17-18-7-8/h1-7H,(H,17,18)(H,21,22)(H3,15,16,19,20)
InChIKeyZNRNBFCBVNFHPK-UHFFFAOYSA-N
XLogP2.07
TPSA121.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 59024291
[4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol
CID 59024180
4-N-[3-(7,8-dihydronaphthalen-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 143557821
4-N-(3-chloro-2H-indazol-5-yl)pyrimidine-2,4-diamine
CID 59024384
5-methoxy-3-(1H-pyrazol-4-yl)-1H-indazole
CID 136964363
5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde
CID 57493629
4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine
CID 143557696
5-phenyl-3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137284667
4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine
CID 80843375
5-[(2-aminopyrimidin-4-yl)amino]isoindole-1,3-dione
CID 80760234
acetic acid;5-[(2-aminopyrimidin-4-yl)amino]-N-(1-benzothiophen-3-ylmethyl)-1H-indazole-3-carboxamide
CID 160602526
4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 59024147

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine (CID 135997586) is 4-N-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine is Nc1nccc(Nc2ccc3[nH]nc(-c4cn[nH]c4)c3c2)n1.
What is the InChIKey of 4-N-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The InChIKey is ZNRNBFCBVNFHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N8/c15-14-16-4-3-12(20-14)19-9-1-2-11-10(5-9)13(22-21-11)8-6-17-18-7-8/h1-7H,(H,17,18)(H,21,22)(H3,15,16,19,20).
What are the key properties of 4-N-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
4-N-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine has a molecular weight of 292.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 135997586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).