N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide

C25H28FN5O2 — CID 134335694

IUPACN-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OCC3CCN(C)C3)c2)c1
InChIInChI=1S/C25H28FN5O2/c1-16-7-24(26)23(25(32)29-19-3-4-19)9-22(16)18-10-28-31(14-18)20-8-21(12-27-11-20)33-15-17-5-6-30(2)13-17/h7-12,14,17,19H,3-6,13,15H2,1-2H3,(H,29,32)
InChIKeyHSADOPRBLMFIQN-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.60
Rot. Bonds7

About N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide

N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 134335694) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID134335694
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC NameN-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OCC3CCN(C)C3)c2)c1
InChIInChI=1S/C25H28FN5O2/c1-16-7-24(26)23(25(32)29-19-3-4-19)9-22(16)18-10-28-31(14-18)20-8-21(12-27-11-20)33-15-17-5-6-30(2)13-17/h7-12,14,17,19H,3-6,13,15H2,1-2H3,(H,29,32)
InChIKeyHSADOPRBLMFIQN-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide (CID 134335694) is N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OCC3CCN(C)C3)c2)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is HSADOPRBLMFIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2/c1-16-7-24(26)23(25(32)29-19-3-4-19)9-22(16)18-10-28-31(14-18)20-8-21(12-27-11-20)33-15-17-5-6-30(2)13-17/h7-12,14,17,19H,3-6,13,15H2,1-2H3,(H,29,32).
What are the key properties of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 449.53 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpyrrolidin-3-yl)methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134335694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).