[5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C19H24ClN7O3 — CID 10320691

IUPAC[5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1nc(OC)nc(N2CCN(c3ncc(C(=O)N4CCCC4)cc3Cl)CC2)n1
InChIInChI=1S/C19H24ClN7O3/c1-29-18-22-17(23-19(24-18)30-2)27-9-7-25(8-10-27)15-14(20)11-13(12-21-15)16(28)26-5-3-4-6-26/h11-12H,3-10H2,1-2H3
InChIKeyGOHLPFYAJAUADV-UHFFFAOYSA-N
MW433.90 g/mol
LogP1.50
Rot. Bonds5

About [5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 10320691) has the molecular formula C19H24ClN7O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is [5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID10320691
Molecular FormulaC19H24ClN7O3
Molecular Weight433.90 g/mol
Exact Mass433.16
IUPAC Name[5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1nc(OC)nc(N2CCN(c3ncc(C(=O)N4CCCC4)cc3Cl)CC2)n1
InChIInChI=1S/C19H24ClN7O3/c1-29-18-22-17(23-19(24-18)30-2)27-9-7-25(8-10-27)15-14(20)11-13(12-21-15)16(28)26-5-3-4-6-26/h11-12H,3-10H2,1-2H3
InChIKeyGOHLPFYAJAUADV-UHFFFAOYSA-N
XLogP1.50
TPSA96.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 10320691) is [5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is COc1nc(OC)nc(N2CCN(c3ncc(C(=O)N4CCCC4)cc3Cl)CC2)n1.
What is the InChIKey of [5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is GOHLPFYAJAUADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN7O3/c1-29-18-22-17(23-19(24-18)30-2)27-9-7-25(8-10-27)15-14(20)11-13(12-21-15)16(28)26-5-3-4-6-26/h11-12H,3-10H2,1-2H3.
What are the key properties of [5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 433.90 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 10320691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).