[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)methanone

C18H20ClN5O — CID 156585369

IUPAC[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)methanone
SMILESCN1CCc2ccc(C(=O)N3CCN(c4ccc(Cl)cn4)CC3)nc21
InChIInChI=1S/C18H20ClN5O/c1-22-7-6-13-2-4-15(21-17(13)22)18(25)24-10-8-23(9-11-24)16-5-3-14(19)12-20-16/h2-5,12H,6-11H2,1H3
InChIKeyRLSGZEMHIHYNPN-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.08
Rot. Bonds2

About [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)methanone

[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)methanone (PubChem CID 156585369) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)methanone
PubChem CID156585369
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)methanone
SMILESCN1CCc2ccc(C(=O)N3CCN(c4ccc(Cl)cn4)CC3)nc21
InChIInChI=1S/C18H20ClN5O/c1-22-7-6-13-2-4-15(21-17(13)22)18(25)24-10-8-23(9-11-24)16-5-3-14(19)12-20-16/h2-5,12H,6-11H2,1H3
InChIKeyRLSGZEMHIHYNPN-UHFFFAOYSA-N
XLogP2.08
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)methanone?
The IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)methanone (CID 156585369) is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)methanone.
What is the SMILES notation for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)methanone?
The canonical SMILES for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)methanone is CN1CCc2ccc(C(=O)N3CCN(c4ccc(Cl)cn4)CC3)nc21.
What is the InChIKey of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)methanone?
The InChIKey is RLSGZEMHIHYNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-22-7-6-13-2-4-15(21-17(13)22)18(25)24-10-8-23(9-11-24)16-5-3-14(19)12-20-16/h2-5,12H,6-11H2,1H3.
What are the key properties of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)methanone?
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)methanone has a molecular weight of 357.85 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-6-yl)methanone is sourced from PubChem (CID 156585369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).