(1S,6S)-9-propan-2-yl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C18H29N5O — CID 124868905

IUPAC(1S,6S)-9-propan-2-yl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCC(C)N1[C@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCCc3cn[nH]c31)CC2
InChIInChI=1S/C18H29N5O/c1-12(2)23-14-6-7-15(23)11-22(9-8-14)18(24)20-16-5-3-4-13-10-19-21-17(13)16/h10,12,14-16H,3-9,11H2,1-2H3,(H,19,21)(H,20,24)/t14-,15-,16+/m0/s1
InChIKeyXRQOKKWDAOZNJG-HRCADAONSA-N
MW331.46 g/mol
LogP2.44
Rot. Bonds2

About (1S,6S)-9-propan-2-yl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

(1S,6S)-9-propan-2-yl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 124868905) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is (1S,6S)-9-propan-2-yl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,6S)-9-propan-2-yl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID124868905
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name(1S,6S)-9-propan-2-yl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCC(C)N1[C@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCCc3cn[nH]c31)CC2
InChIInChI=1S/C18H29N5O/c1-12(2)23-14-6-7-15(23)11-22(9-8-14)18(24)20-16-5-3-4-13-10-19-21-17(13)16/h10,12,14-16H,3-9,11H2,1-2H3,(H,19,21)(H,20,24)/t14-,15-,16+/m0/s1
InChIKeyXRQOKKWDAOZNJG-HRCADAONSA-N
XLogP2.44
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,6S)-9-propan-2-yl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide with MolForge

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Related Compounds

(1S,6S)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 124855741
3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122007005
1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 155950298
4-methoxy-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 128837911
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)piperidine-1,4-dicarboxamide
CID 127597421
1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide
CID 127500754
2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride
CID 119787817
1-benzoyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)piperidine-4-carboxamide
CID 136515751
2-(cyclopropylmethylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 119787806
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 166217928
1-(1-cyclopropylethyl)-5-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrazole-3-carboxamide
CID 127758471
4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide
CID 119787790

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-9-propan-2-yl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of (1S,6S)-9-propan-2-yl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 124868905) is (1S,6S)-9-propan-2-yl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for (1S,6S)-9-propan-2-yl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for (1S,6S)-9-propan-2-yl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CC(C)N1[C@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCCc3cn[nH]c31)CC2.
What is the InChIKey of (1S,6S)-9-propan-2-yl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is XRQOKKWDAOZNJG-HRCADAONSA-N. The full InChI is InChI=1S/C18H29N5O/c1-12(2)23-14-6-7-15(23)11-22(9-8-14)18(24)20-16-5-3-4-13-10-19-21-17(13)16/h10,12,14-16H,3-9,11H2,1-2H3,(H,19,21)(H,20,24)/t14-,15-,16+/m0/s1.
What are the key properties of (1S,6S)-9-propan-2-yl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
(1S,6S)-9-propan-2-yl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-9-propan-2-yl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 124868905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).