[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone

C23H31FN4O2 — CID 170244019

IUPAC[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
SMILESCCc1c(F)cccc1C1CCN(C(=O)c2n[nH]c3c2CCN(CCOC)C3)CC1
InChIInChI=1S/C23H31FN4O2/c1-3-17-18(5-4-6-20(17)24)16-7-11-28(12-8-16)23(29)22-19-9-10-27(13-14-30-2)15-21(19)25-26-22/h4-6,16H,3,7-15H2,1-2H3,(H,25,26)
InChIKeyDNSPNIRREMUQOD-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.14
Rot. Bonds6

About [4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone

[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone (PubChem CID 170244019) has the molecular formula C23H31FN4O2 and a molecular weight of 414.53 g/mol. Its IUPAC name is [4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
PubChem CID170244019
Molecular FormulaC23H31FN4O2
Molecular Weight414.53 g/mol
Exact Mass414.24
IUPAC Name[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
SMILESCCc1c(F)cccc1C1CCN(C(=O)c2n[nH]c3c2CCN(CCOC)C3)CC1
InChIInChI=1S/C23H31FN4O2/c1-3-17-18(5-4-6-20(17)24)16-7-11-28(12-8-16)23(29)22-19-9-10-27(13-14-30-2)15-21(19)25-26-22/h4-6,16H,3,7-15H2,1-2H3,(H,25,26)
InChIKeyDNSPNIRREMUQOD-UHFFFAOYSA-N
XLogP3.14
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
The IUPAC name of [4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone (CID 170244019) is [4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone.
What is the SMILES notation for [4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
The canonical SMILES for [4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone is CCc1c(F)cccc1C1CCN(C(=O)c2n[nH]c3c2CCN(CCOC)C3)CC1.
What is the InChIKey of [4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
The InChIKey is DNSPNIRREMUQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O2/c1-3-17-18(5-4-6-20(17)24)16-7-11-28(12-8-16)23(29)22-19-9-10-27(13-14-30-2)15-21(19)25-26-22/h4-6,16H,3,7-15H2,1-2H3,(H,25,26).
What are the key properties of [4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone has a molecular weight of 414.53 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone is sourced from PubChem (CID 170244019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).