N-[2-(3,6-diazabicyclo[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine

C19H23N7 — CID 154961857

IUPACN-[2-(3,6-diazabicyclo[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
SMILESCc1cc(Nc2ccc3[nH]ncc3c2)nc(N2CC3CCC(C2)NC3)n1
InChIInChI=1S/C19H23N7/c1-12-6-18(23-15-4-5-17-14(7-15)9-21-25-17)24-19(22-12)26-10-13-2-3-16(11-26)20-8-13/h4-7,9,13,16,20H,2-3,8,10-11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyWDUBYPYDSDRMAT-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.59
Rot. Bonds3

About N-[2-(3,6-diazabicyclo[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine

N-[2-(3,6-diazabicyclo[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 154961857) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[2-(3,6-diazabicyclo[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[2-(3,6-diazabicyclo[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID154961857
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC NameN-[2-(3,6-diazabicyclo[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
SMILESCc1cc(Nc2ccc3[nH]ncc3c2)nc(N2CC3CCC(C2)NC3)n1
InChIInChI=1S/C19H23N7/c1-12-6-18(23-15-4-5-17-14(7-15)9-21-25-17)24-19(22-12)26-10-13-2-3-16(11-26)20-8-13/h4-7,9,13,16,20H,2-3,8,10-11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyWDUBYPYDSDRMAT-UHFFFAOYSA-N
XLogP2.59
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
CID 150707011
N-[6-methyl-2-(3-piperidin-4-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 155664047
N-[6-methyl-2-(3-piperidin-3-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 155664048
N-[2-(2,7-diazaspiro[3.4]octan-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
CID 151694888
N-[2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-isoindol-5-amine
CID 161404356
N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine
CID 52944867
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-(3-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
CID 52946107
N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112924034
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-diazabicyclo[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[2-(3,6-diazabicyclo[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine (CID 154961857) is N-[2-(3,6-diazabicyclo[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[2-(3,6-diazabicyclo[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[2-(3,6-diazabicyclo[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine is Cc1cc(Nc2ccc3[nH]ncc3c2)nc(N2CC3CCC(C2)NC3)n1.
What is the InChIKey of N-[2-(3,6-diazabicyclo[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is WDUBYPYDSDRMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-12-6-18(23-15-4-5-17-14(7-15)9-21-25-17)24-19(22-12)26-10-13-2-3-16(11-26)20-8-13/h4-7,9,13,16,20H,2-3,8,10-11H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[2-(3,6-diazabicyclo[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine?
N-[2-(3,6-diazabicyclo[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 349.44 g/mol, XLogP of 2.59, 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[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 154961857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).