N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

C25H28FN5O2 — CID 171144630

IUPACN-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESO=C(NCC1CCN(Cc2ccc(F)cc2)CC1)c1cc2n(n1)CC(Oc1cccnc1)C2
InChIInChI=1S/C25H28FN5O2/c26-20-5-3-19(4-6-20)16-30-10-7-18(8-11-30)14-28-25(32)24-13-21-12-23(17-31(21)29-24)33-22-2-1-9-27-15-22/h1-6,9,13,15,18,23H,7-8,10-12,14,16-17H2,(H,28,32)
InChIKeyCNKRFXVUWDAQOK-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.06
Rot. Bonds7

About N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (PubChem CID 171144630) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
PubChem CID171144630
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESO=C(NCC1CCN(Cc2ccc(F)cc2)CC1)c1cc2n(n1)CC(Oc1cccnc1)C2
InChIInChI=1S/C25H28FN5O2/c26-20-5-3-19(4-6-20)16-30-10-7-18(8-11-30)14-28-25(32)24-13-21-12-23(17-31(21)29-24)33-22-2-1-9-27-15-22/h1-6,9,13,15,18,23H,7-8,10-12,14,16-17H2,(H,28,32)
InChIKeyCNKRFXVUWDAQOK-UHFFFAOYSA-N
XLogP3.06
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide with MolForge

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 171141575
5-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895864
N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]naphthalene-2-carboxamide
CID 16895883
N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 75524666
2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895885
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895958
3-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895892
3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895865
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 40921983
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (CID 171144630) is N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)c1cc2n(n1)CC(Oc1cccnc1)C2.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The InChIKey is CNKRFXVUWDAQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2/c26-20-5-3-19(4-6-20)16-30-10-7-18(8-11-30)14-28-25(32)24-13-21-12-23(17-31(21)29-24)33-22-2-1-9-27-15-22/h1-6,9,13,15,18,23H,7-8,10-12,14,16-17H2,(H,28,32).
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is sourced from PubChem (CID 171144630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).