N-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine

C18H21N7 — CID 150707011

IUPACN-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
SMILESCc1cc(Nc2ccc3[nH]ncc3c2)nc(N2CC3CNC(C3)C2)n1
InChIInChI=1S/C18H21N7/c1-11-4-17(22-14-2-3-16-13(6-14)8-20-24-16)23-18(21-11)25-9-12-5-15(10-25)19-7-12/h2-4,6,8,12,15,19H,5,7,9-10H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyJNBQDSYYXXYENZ-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.20
Rot. Bonds3

About N-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine

N-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 150707011) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID150707011
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC NameN-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
SMILESCc1cc(Nc2ccc3[nH]ncc3c2)nc(N2CC3CNC(C3)C2)n1
InChIInChI=1S/C18H21N7/c1-11-4-17(22-14-2-3-16-13(6-14)8-20-24-16)23-18(21-11)25-9-12-5-15(10-25)19-7-12/h2-4,6,8,12,15,19H,5,7,9-10H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyJNBQDSYYXXYENZ-UHFFFAOYSA-N
XLogP2.20
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine with MolForge

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Related Compounds

N-[2-(3,6-diazabicyclo[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
CID 154961857
N-[2-(2,7-diazaspiro[3.4]octan-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
CID 151694888
N-[6-methyl-2-(3-piperidin-3-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 155664048
N-[6-methyl-2-(3-piperidin-4-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 155664047
N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine
CID 52944867
N-[6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
CID 52946107
N-[2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-isoindol-5-amine
CID 161404356
2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;hydrochloride
CID 155195783
N-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
CID 59789810
N-[3-[6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenyl]hydroxylamine
CID 89423887
[3-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]-[(6S)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124951536
N-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
CID 59789685

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine (CID 150707011) is N-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine is Cc1cc(Nc2ccc3[nH]ncc3c2)nc(N2CC3CNC(C3)C2)n1.
What is the InChIKey of N-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is JNBQDSYYXXYENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-11-4-17(22-14-2-3-16-13(6-14)8-20-24-16)23-18(21-11)25-9-12-5-15(10-25)19-7-12/h2-4,6,8,12,15,19H,5,7,9-10H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine?
N-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 335.42 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 150707011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).