N-[2-cyclopropyl-2-[[(1R,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C22H30N4O2 — CID 167891982

IUPACN-[2-cyclopropyl-2-[[(1R,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCC(NC(=O)C1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12)C1CC1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C22H30N4O2/c27-21(19-17-12-7-8-13(9-12)18(17)19)24-16(11-5-6-11)10-23-22(28)20-14-3-1-2-4-15(14)25-26-20/h11-13,16-19H,1-10H2,(H,23,28)(H,24,27)(H,25,26)/t12-,13+,16?,17+,18-,19?
InChIKeyLOCPGEYBXMXIMF-NXSKZJCUSA-N
MW382.51 g/mol
LogP2.21
Rot. Bonds6

About N-[2-cyclopropyl-2-[[(1R,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[2-cyclopropyl-2-[[(1R,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 167891982) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-[[(1R,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-[[(1R,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID167891982
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[2-cyclopropyl-2-[[(1R,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCC(NC(=O)C1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12)C1CC1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C22H30N4O2/c27-21(19-17-12-7-8-13(9-12)18(17)19)24-16(11-5-6-11)10-23-22(28)20-14-3-1-2-4-15(14)25-26-20/h11-13,16-19H,1-10H2,(H,23,28)(H,24,27)(H,25,26)/t12-,13+,16?,17+,18-,19?
InChIKeyLOCPGEYBXMXIMF-NXSKZJCUSA-N
XLogP2.21
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-cyclopropyl-2-[[(1R,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

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CID 110388801
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CID 124828152
N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 94913783
N-[2-(cyclopropanecarbonylamino)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 78880342
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333
N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388812
N-(2-propan-2-yloxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110610403
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CID 97046545
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 91828880
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111422528
2-benzyl-3-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-[[(1R,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-cyclopropyl-2-[[(1R,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 167891982) is N-[2-cyclopropyl-2-[[(1R,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-cyclopropyl-2-[[(1R,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-cyclopropyl-2-[[(1R,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(NCC(NC(=O)C1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12)C1CC1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[2-cyclopropyl-2-[[(1R,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is LOCPGEYBXMXIMF-NXSKZJCUSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-21(19-17-12-7-8-13(9-12)18(17)19)24-16(11-5-6-11)10-23-22(28)20-14-3-1-2-4-15(14)25-26-20/h11-13,16-19H,1-10H2,(H,23,28)(H,24,27)(H,25,26)/t12-,13+,16?,17+,18-,19?.
What are the key properties of N-[2-cyclopropyl-2-[[(1R,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[2-cyclopropyl-2-[[(1R,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-[[(1R,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 167891982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).