2-chloro-N-cyclopropyl-N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide

C33H35ClN4O2 — CID 66700550

IUPAC2-chloro-N-cyclopropyl-N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2)N1CCC2(CC1)CCN(c1ccncc1)C2
InChIInChI=1S/C33H35ClN4O2/c34-29-4-2-1-3-27(29)32(40)38(26-8-9-26)30-10-7-23-5-6-24(21-28(23)30)31(39)36-18-13-33(14-19-36)15-20-37(22-33)25-11-16-35-17-12-25/h1-6,11-12,16-17,21,26,30H,7-10,13-15,18-20,22H2
InChIKeyCMJDMVRVQQPNNI-UHFFFAOYSA-N
MW555.12 g/mol
LogP6.16
Rot. Bonds5

About 2-chloro-N-cyclopropyl-N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide

2-chloro-N-cyclopropyl-N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 66700550) has the molecular formula C33H35ClN4O2 and a molecular weight of 555.12 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID66700550
Molecular FormulaC33H35ClN4O2
Molecular Weight555.12 g/mol
Exact Mass554.24
IUPAC Name2-chloro-N-cyclopropyl-N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2)N1CCC2(CC1)CCN(c1ccncc1)C2
InChIInChI=1S/C33H35ClN4O2/c34-29-4-2-1-3-27(29)32(40)38(26-8-9-26)30-10-7-23-5-6-24(21-28(23)30)31(39)36-18-13-33(14-19-36)15-20-37(22-33)25-11-16-35-17-12-25/h1-6,11-12,16-17,21,26,30H,7-10,13-15,18-20,22H2
InChIKeyCMJDMVRVQQPNNI-UHFFFAOYSA-N
XLogP6.16
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.12
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-cyclopropyl-N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 66700550) is 2-chloro-N-cyclopropyl-N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2)N1CCC2(CC1)CCN(c1ccncc1)C2.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is CMJDMVRVQQPNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35ClN4O2/c34-29-4-2-1-3-27(29)32(40)38(26-8-9-26)30-10-7-23-5-6-24(21-28(23)30)31(39)36-18-13-33(14-19-36)15-20-37(22-33)25-11-16-35-17-12-25/h1-6,11-12,16-17,21,26,30H,7-10,13-15,18-20,22H2.
What are the key properties of 2-chloro-N-cyclopropyl-N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
2-chloro-N-cyclopropyl-N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 555.12 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 66700550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).