[3-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-6,8-dimethyl-1-propylpyrrolo[1,2-a]pyrazin-7-yl]-piperazin-1-ylmethanone

C30H34N8O2 — CID 163273651

IUPAC[3-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-6,8-dimethyl-1-propylpyrrolo[1,2-a]pyrazin-7-yl]-piperazin-1-ylmethanone
SMILESCCCc1nc(-n2ncc3c(C)nc(-c4cnccc4OC)cc32)cn2c(C)c(C(=O)N3CCNCC3)c(C)c12
InChIInChI=1S/C30H34N8O2/c1-6-7-23-29-18(2)28(30(39)36-12-10-31-11-13-36)20(4)37(29)17-27(35-23)38-25-14-24(34-19(3)21(25)16-33-38)22-15-32-9-8-26(22)40-5/h8-9,14-17,31H,6-7,10-13H2,1-5H3
InChIKeyAKOPMHVXGSWWKC-UHFFFAOYSA-N
MW538.66 g/mol
LogP4.06
Rot. Bonds6

About [3-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-6,8-dimethyl-1-propylpyrrolo[1,2-a]pyrazin-7-yl]-piperazin-1-ylmethanone

[3-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-6,8-dimethyl-1-propylpyrrolo[1,2-a]pyrazin-7-yl]-piperazin-1-ylmethanone (PubChem CID 163273651) has the molecular formula C30H34N8O2 and a molecular weight of 538.66 g/mol. Its IUPAC name is [3-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-6,8-dimethyl-1-propylpyrrolo[1,2-a]pyrazin-7-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[3-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-6,8-dimethyl-1-propylpyrrolo[1,2-a]pyrazin-7-yl]-piperazin-1-ylmethanone
PubChem CID163273651
Molecular FormulaC30H34N8O2
Molecular Weight538.66 g/mol
Exact Mass538.28
IUPAC Name[3-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-6,8-dimethyl-1-propylpyrrolo[1,2-a]pyrazin-7-yl]-piperazin-1-ylmethanone
SMILESCCCc1nc(-n2ncc3c(C)nc(-c4cnccc4OC)cc32)cn2c(C)c(C(=O)N3CCNCC3)c(C)c12
InChIInChI=1S/C30H34N8O2/c1-6-7-23-29-18(2)28(30(39)36-12-10-31-11-13-36)20(4)37(29)17-27(35-23)38-25-14-24(34-19(3)21(25)16-33-38)22-15-32-9-8-26(22)40-5/h8-9,14-17,31H,6-7,10-13H2,1-5H3
InChIKeyAKOPMHVXGSWWKC-UHFFFAOYSA-N
XLogP4.06
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.66
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [3-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-6,8-dimethyl-1-propylpyrrolo[1,2-a]pyrazin-7-yl]-piperazin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-6,8-dimethyl-1-propylpyrrolo[1,2-a]pyrazin-7-yl]-piperazin-1-ylmethanone?
The IUPAC name of [3-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-6,8-dimethyl-1-propylpyrrolo[1,2-a]pyrazin-7-yl]-piperazin-1-ylmethanone (CID 163273651) is [3-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-6,8-dimethyl-1-propylpyrrolo[1,2-a]pyrazin-7-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [3-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-6,8-dimethyl-1-propylpyrrolo[1,2-a]pyrazin-7-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [3-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-6,8-dimethyl-1-propylpyrrolo[1,2-a]pyrazin-7-yl]-piperazin-1-ylmethanone is CCCc1nc(-n2ncc3c(C)nc(-c4cnccc4OC)cc32)cn2c(C)c(C(=O)N3CCNCC3)c(C)c12.
What is the InChIKey of [3-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-6,8-dimethyl-1-propylpyrrolo[1,2-a]pyrazin-7-yl]-piperazin-1-ylmethanone?
The InChIKey is AKOPMHVXGSWWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O2/c1-6-7-23-29-18(2)28(30(39)36-12-10-31-11-13-36)20(4)37(29)17-27(35-23)38-25-14-24(34-19(3)21(25)16-33-38)22-15-32-9-8-26(22)40-5/h8-9,14-17,31H,6-7,10-13H2,1-5H3.
What are the key properties of [3-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-6,8-dimethyl-1-propylpyrrolo[1,2-a]pyrazin-7-yl]-piperazin-1-ylmethanone?
[3-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-6,8-dimethyl-1-propylpyrrolo[1,2-a]pyrazin-7-yl]-piperazin-1-ylmethanone has a molecular weight of 538.66 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-6,8-dimethyl-1-propylpyrrolo[1,2-a]pyrazin-7-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 163273651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).