3-(6-chloroindazol-1-yl)-1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]propan-1-one

C19H25ClN4O — CID 95751470

IUPAC3-(6-chloroindazol-1-yl)-1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]propan-1-one
SMILESO=C(CCn1ncc2ccc(Cl)cc21)N1CCCN(CC2CC2)CC1
InChIInChI=1S/C19H25ClN4O/c20-17-5-4-16-13-21-24(18(16)12-17)9-6-19(25)23-8-1-7-22(10-11-23)14-15-2-3-15/h4-5,12-13,15H,1-3,6-11,14H2
InChIKeyKSQXGCFNFVRSAL-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.02
Rot. Bonds5

About 3-(6-chloroindazol-1-yl)-1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]propan-1-one

3-(6-chloroindazol-1-yl)-1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]propan-1-one (PubChem CID 95751470) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-(6-chloroindazol-1-yl)-1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(6-chloroindazol-1-yl)-1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]propan-1-one
PubChem CID95751470
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name3-(6-chloroindazol-1-yl)-1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]propan-1-one
SMILESO=C(CCn1ncc2ccc(Cl)cc21)N1CCCN(CC2CC2)CC1
InChIInChI=1S/C19H25ClN4O/c20-17-5-4-16-13-21-24(18(16)12-17)9-6-19(25)23-8-1-7-22(10-11-23)14-15-2-3-15/h4-5,12-13,15H,1-3,6-11,14H2
InChIKeyKSQXGCFNFVRSAL-UHFFFAOYSA-N
XLogP3.02
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-3-(5-methylindazol-1-yl)propan-1-one
CID 95751410
3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 75538330
2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 126459256
2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 22510033
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one
CID 95754598
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-chloroindazol-1-yl)propanamide
CID 91948691
1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95751398
3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one
CID 125019809
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95750139
(2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 61108944
5-bromo-2-[3-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 55955198
3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95829634

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroindazol-1-yl)-1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]propan-1-one?
The IUPAC name of 3-(6-chloroindazol-1-yl)-1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]propan-1-one (CID 95751470) is 3-(6-chloroindazol-1-yl)-1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]propan-1-one.
What is the SMILES notation for 3-(6-chloroindazol-1-yl)-1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]propan-1-one?
The canonical SMILES for 3-(6-chloroindazol-1-yl)-1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]propan-1-one is O=C(CCn1ncc2ccc(Cl)cc21)N1CCCN(CC2CC2)CC1.
What is the InChIKey of 3-(6-chloroindazol-1-yl)-1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]propan-1-one?
The InChIKey is KSQXGCFNFVRSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c20-17-5-4-16-13-21-24(18(16)12-17)9-6-19(25)23-8-1-7-22(10-11-23)14-15-2-3-15/h4-5,12-13,15H,1-3,6-11,14H2.
What are the key properties of 3-(6-chloroindazol-1-yl)-1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]propan-1-one?
3-(6-chloroindazol-1-yl)-1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]propan-1-one has a molecular weight of 360.89 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroindazol-1-yl)-1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]propan-1-one is sourced from PubChem (CID 95751470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).