4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide

C23H27ClN4O2 — CID 155496525

IUPAC4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NC[C@H]1[C@H]2CN(C3Cc4ccccc4C3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C23H27ClN4O2/c1-27-21(19(24)11-26-27)22(29)25-10-17-18-12-28(13-23(18)7-6-20(17)30-23)16-8-14-4-2-3-5-15(14)9-16/h2-5,11,16-18,20H,6-10,12-13H2,1H3,(H,25,29)/t17-,18+,20+,23+/m0/s1
InChIKeyDCPYTNPYENAYCJ-XNSSQMBPSA-N
MW426.95 g/mol
LogP2.45
Rot. Bonds4

About 4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide

4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 155496525) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide
PubChem CID155496525
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NC[C@H]1[C@H]2CN(C3Cc4ccccc4C3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C23H27ClN4O2/c1-27-21(19(24)11-26-27)22(29)25-10-17-18-12-28(13-23(18)7-6-20(17)30-23)16-8-14-4-2-3-5-15(14)9-16/h2-5,11,16-18,20H,6-10,12-13H2,1H3,(H,25,29)/t17-,18+,20+,23+/m0/s1
InChIKeyDCPYTNPYENAYCJ-XNSSQMBPSA-N
XLogP2.45
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide (CID 155496525) is 4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)NC[C@H]1[C@H]2CN(C3Cc4ccccc4C3)C[C@]23CC[C@H]1O3.
What is the InChIKey of 4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is DCPYTNPYENAYCJ-XNSSQMBPSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-27-21(19(24)11-26-27)22(29)25-10-17-18-12-28(13-23(18)7-6-20(17)30-23)16-8-14-4-2-3-5-15(14)9-16/h2-5,11,16-18,20H,6-10,12-13H2,1H3,(H,25,29)/t17-,18+,20+,23+/m0/s1.
What are the key properties of 4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 426.95 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 155496525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).