1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone

C18H24N4O — CID 124776562

IUPAC1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
SMILESCC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1n[nH]c3ccccc13)CC2
InChIInChI=1S/C18H24N4O/c1-12(2)22-13-7-8-14(22)11-21(10-9-13)18(23)17-15-5-3-4-6-16(15)19-20-17/h3-6,12-14H,7-11H2,1-2H3,(H,19,20)/t13-,14-/m0/s1
InChIKeyKNTCXJLYPILNAP-KBPBESRZSA-N
MW312.42 g/mol
LogP2.65
Rot. Bonds2

About 1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone

1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone (PubChem CID 124776562) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
PubChem CID124776562
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
SMILESCC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1n[nH]c3ccccc13)CC2
InChIInChI=1S/C18H24N4O/c1-12(2)22-13-7-8-14(22)11-21(10-9-13)18(23)17-15-5-3-4-6-16(15)19-20-17/h3-6,12-14H,7-11H2,1-2H3,(H,19,20)/t13-,14-/m0/s1
InChIKeyKNTCXJLYPILNAP-KBPBESRZSA-N
XLogP2.65
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1H-indazol-3-yl)methanone
CID 11715985
1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95337039
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 56913865
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 47340273
(4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone
CID 81457192
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192626
(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 64982606
7-(1H-indazole-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094890
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
1H-indazol-3-yl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 11681223

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone (CID 124776562) is 1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone is CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1n[nH]c3ccccc13)CC2.
What is the InChIKey of 1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The InChIKey is KNTCXJLYPILNAP-KBPBESRZSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)22-13-7-8-14(22)11-21(10-9-13)18(23)17-15-5-3-4-6-16(15)19-20-17/h3-6,12-14H,7-11H2,1-2H3,(H,19,20)/t13-,14-/m0/s1.
What are the key properties of 1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone has a molecular weight of 312.42 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone is sourced from PubChem (CID 124776562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).