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

C17H15N7 — CID 59024291

IUPAC4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
SMILESNc1ccc(-c2n[nH]c3ccc(Nc4ccnc(N)n4)cc23)cc1
InChIInChI=1S/C17H15N7/c18-11-3-1-10(2-4-11)16-13-9-12(5-6-14(13)23-24-16)21-15-7-8-20-17(19)22-15/h1-9H,18H2,(H,23,24)(H3,19,20,21,22)
InChIKeyVHCRMPGPOQCQFA-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.93
Rot. Bonds3

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

4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine (PubChem CID 59024291) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
PubChem CID59024291
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
SMILESNc1ccc(-c2n[nH]c3ccc(Nc4ccnc(N)n4)cc23)cc1
InChIInChI=1S/C17H15N7/c18-11-3-1-10(2-4-11)16-13-9-12(5-6-14(13)23-24-16)21-15-7-8-20-17(19)22-15/h1-9H,18H2,(H,23,24)(H3,19,20,21,22)
InChIKeyVHCRMPGPOQCQFA-UHFFFAOYSA-N
XLogP2.93
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol
CID 59024180
4-N-[3-(1H-pyrazol-4-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 135997586
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
4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine
CID 143557696
3-(4-methylphenyl)-1H-indazol-5-amine
CID 39218240
4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine
CID 126676641
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-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine
CID 170898403
4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
CID 80755292

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine (CID 59024291) is 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine is Nc1ccc(-c2n[nH]c3ccc(Nc4ccnc(N)n4)cc23)cc1.
What is the InChIKey of 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The InChIKey is VHCRMPGPOQCQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c18-11-3-1-10(2-4-11)16-13-9-12(5-6-14(13)23-24-16)21-15-7-8-20-17(19)22-15/h1-9H,18H2,(H,23,24)(H3,19,20,21,22).
What are the key properties of 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine has a molecular weight of 317.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59024291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).