4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide

C19H29N5O — CID 124736798

IUPAC4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide
SMILESO=C(N[C@H]1CCc2[nH]ncc2C1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C19H29N5O/c25-19(21-16-3-4-17-15(11-16)12-20-22-17)24-7-5-23(6-8-24)18-10-13-1-2-14(18)9-13/h12-14,16,18H,1-11H2,(H,20,22)(H,21,25)/t13-,14-,16-,18+/m0/s1
InChIKeyPDICHPPMZXTMIF-ILXVDBEPSA-N
MW343.48 g/mol
LogP1.78
Rot. Bonds2

About 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide

4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide (PubChem CID 124736798) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide
PubChem CID124736798
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide
SMILESO=C(N[C@H]1CCc2[nH]ncc2C1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C19H29N5O/c25-19(21-16-3-4-17-15(11-16)12-20-22-17)24-7-5-23(6-8-24)18-10-13-1-2-14(18)9-13/h12-14,16,18H,1-11H2,(H,20,22)(H,21,25)/t13-,14-,16-,18+/m0/s1
InChIKeyPDICHPPMZXTMIF-ILXVDBEPSA-N
XLogP1.78
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

(3aS,7aS)-7a-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide
CID 138017853
1-(2-amino-2-oxoethyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperidine-4-carboxamide
CID 97119621
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 100574207
1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 124738907
1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327595
4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 71979650
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 20546780
4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 98344931
1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 126793528
4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide
CID 98344798
N-(3-acetamidopropyl)-4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide
CID 129378400
4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide
CID 97137408

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide?
The IUPAC name of 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide (CID 124736798) is 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide is O=C(N[C@H]1CCc2[nH]ncc2C1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1.
What is the InChIKey of 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide?
The InChIKey is PDICHPPMZXTMIF-ILXVDBEPSA-N. The full InChI is InChI=1S/C19H29N5O/c25-19(21-16-3-4-17-15(11-16)12-20-22-17)24-7-5-23(6-8-24)18-10-13-1-2-14(18)9-13/h12-14,16,18H,1-11H2,(H,20,22)(H,21,25)/t13-,14-,16-,18+/m0/s1.
What are the key properties of 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide?
4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide is sourced from PubChem (CID 124736798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).