N-[2-(2,7-diazaspiro[3.4]octan-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine

C18H21N7 — CID 151694888

IUPACN-[2-(2,7-diazaspiro[3.4]octan-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
SMILESCc1cc(Nc2ccc3[nH]ncc3c2)nc(N2CC3(CCNC3)C2)n1
InChIInChI=1S/C18H21N7/c1-12-6-16(22-14-2-3-15-13(7-14)8-20-24-15)23-17(21-12)25-10-18(11-25)4-5-19-9-18/h2-3,6-8,19H,4-5,9-11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyRDINYDPXDZQOCB-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.20
Rot. Bonds3

About N-[2-(2,7-diazaspiro[3.4]octan-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine

N-[2-(2,7-diazaspiro[3.4]octan-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 151694888) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[2-(2,7-diazaspiro[3.4]octan-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[2-(2,7-diazaspiro[3.4]octan-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID151694888
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC NameN-[2-(2,7-diazaspiro[3.4]octan-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
SMILESCc1cc(Nc2ccc3[nH]ncc3c2)nc(N2CC3(CCNC3)C2)n1
InChIInChI=1S/C18H21N7/c1-12-6-16(22-14-2-3-15-13(7-14)8-20-24-15)23-17(21-12)25-10-18(11-25)4-5-19-9-18/h2-3,6-8,19H,4-5,9-11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyRDINYDPXDZQOCB-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

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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-[2-(3,6-diazabicyclo[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
CID 154961857
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-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine
CID 52944867
(3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 95018921
N-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
CID 59789685
N-[6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
CID 52946107
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
2-(1,4-diazepan-1-yl)-N-(4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 134410157
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,7-diazaspiro[3.4]octan-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[2-(2,7-diazaspiro[3.4]octan-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine (CID 151694888) is N-[2-(2,7-diazaspiro[3.4]octan-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[2-(2,7-diazaspiro[3.4]octan-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[2-(2,7-diazaspiro[3.4]octan-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine is Cc1cc(Nc2ccc3[nH]ncc3c2)nc(N2CC3(CCNC3)C2)n1.
What is the InChIKey of N-[2-(2,7-diazaspiro[3.4]octan-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is RDINYDPXDZQOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-12-6-16(22-14-2-3-15-13(7-14)8-20-24-15)23-17(21-12)25-10-18(11-25)4-5-19-9-18/h2-3,6-8,19H,4-5,9-11H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[2-(2,7-diazaspiro[3.4]octan-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine?
N-[2-(2,7-diazaspiro[3.4]octan-2-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-(2,7-diazaspiro[3.4]octan-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 151694888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).