(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

C19H31N5O — CID 124855741

IUPAC(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
SMILESCC(C)N1[C@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCCc3c1cnn3C)CC2
InChIInChI=1S/C19H31N5O/c1-13(2)24-14-7-8-15(24)12-23(10-9-14)19(25)21-17-5-4-6-18-16(17)11-20-22(18)3/h11,13-15,17H,4-10,12H2,1-3H3,(H,21,25)/t14-,15-,17+/m0/s1
InChIKeyAWEWOXHCWILBDP-YQQAZPJKSA-N
MW345.49 g/mol
LogP2.45
Rot. Bonds2

About (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

(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 (PubChem CID 124855741) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID124855741
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name(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
SMILESCC(C)N1[C@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCCc3c1cnn3C)CC2
InChIInChI=1S/C19H31N5O/c1-13(2)24-14-7-8-15(24)12-23(10-9-14)19(25)21-17-5-4-6-18-16(17)11-20-22(18)3/h11,13-15,17H,4-10,12H2,1-3H3,(H,21,25)/t14-,15-,17+/m0/s1
InChIKeyAWEWOXHCWILBDP-YQQAZPJKSA-N
XLogP2.45
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

(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
(3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide
CID 95194911
(2R)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide;hydrochloride
CID 119293132
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 47221339
(E)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)but-2-enamide
CID 110470220
2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide
CID 49124992
3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 62669622
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 52658202
1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 110225755
4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide
CID 55809198
1-[(3S)-1-cyclopentylpyrrolidin-3-yl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 95759882

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)N1[C@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCCc3c1cnn3C)CC2.
What is the InChIKey of (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?
The InChIKey is AWEWOXHCWILBDP-YQQAZPJKSA-N. The full InChI is InChI=1S/C19H31N5O/c1-13(2)24-14-7-8-15(24)12-23(10-9-14)19(25)21-17-5-4-6-18-16(17)11-20-22(18)3/h11,13-15,17H,4-10,12H2,1-3H3,(H,21,25)/t14-,15-,17+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 345.49 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 124855741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).