N-[2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-5,6-dihydro-1H-indazol-5-amine

C20H18N6 — CID 170388549

IUPACN-[2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-5,6-dihydro-1H-indazol-5-amine
SMILESCc1cc2ccc(-c3nccc(NC4C=c5cn[nH]c5=CC4)n3)cc2[nH]1
InChIInChI=1S/C20H18N6/c1-12-8-13-2-3-14(10-18(13)23-12)20-21-7-6-19(25-20)24-16-4-5-17-15(9-16)11-22-26-17/h2-3,5-11,16,23,26H,4H2,1H3,(H,21,24,25)
InChIKeyBWMJRDQLACFFJR-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.10
Rot. Bonds3

About N-[2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-5,6-dihydro-1H-indazol-5-amine

N-[2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-5,6-dihydro-1H-indazol-5-amine (PubChem CID 170388549) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-5,6-dihydro-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-5,6-dihydro-1H-indazol-5-amine
PubChem CID170388549
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC NameN-[2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-5,6-dihydro-1H-indazol-5-amine
SMILESCc1cc2ccc(-c3nccc(NC4C=c5cn[nH]c5=CC4)n3)cc2[nH]1
InChIInChI=1S/C20H18N6/c1-12-8-13-2-3-14(10-18(13)23-12)20-21-7-6-19(25-20)24-16-4-5-17-15(9-16)11-22-26-17/h2-3,5-11,16,23,26H,4H2,1H3,(H,21,24,25)
InChIKeyBWMJRDQLACFFJR-UHFFFAOYSA-N
XLogP2.10
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-5,6-dihydro-1H-indazol-5-amine?
The IUPAC name of N-[2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-5,6-dihydro-1H-indazol-5-amine (CID 170388549) is N-[2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-5,6-dihydro-1H-indazol-5-amine.
What is the SMILES notation for N-[2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-5,6-dihydro-1H-indazol-5-amine?
The canonical SMILES for N-[2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-5,6-dihydro-1H-indazol-5-amine is Cc1cc2ccc(-c3nccc(NC4C=c5cn[nH]c5=CC4)n3)cc2[nH]1.
What is the InChIKey of N-[2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-5,6-dihydro-1H-indazol-5-amine?
The InChIKey is BWMJRDQLACFFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-12-8-13-2-3-14(10-18(13)23-12)20-21-7-6-19(25-20)24-16-4-5-17-15(9-16)11-22-26-17/h2-3,5-11,16,23,26H,4H2,1H3,(H,21,24,25).
What are the key properties of N-[2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-5,6-dihydro-1H-indazol-5-amine?
N-[2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-5,6-dihydro-1H-indazol-5-amine has a molecular weight of 342.41 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-5,6-dihydro-1H-indazol-5-amine is sourced from PubChem (CID 170388549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).