(7R)-2-[4-(2,4-difluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide

C23H24F2N6O2 — CID 164537557

IUPAC(7R)-2-[4-(2,4-difluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c2c(nn1-c1ccc(Oc3ccc(F)cc3F)cc1)[C@H](N1CCNCC1)CCN2
InChIInChI=1S/C23H24F2N6O2/c24-14-1-6-19(17(25)13-14)33-16-4-2-15(3-5-16)31-22(23(26)32)21-20(29-31)18(7-8-28-21)30-11-9-27-10-12-30/h1-6,13,18,27-28H,7-12H2,(H2,26,32)/t18-/m1/s1
InChIKeyMYHDZWISZQFXNM-GOSISDBHSA-N
MW454.48 g/mol
LogP2.80
Rot. Bonds5

About (7R)-2-[4-(2,4-difluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide

(7R)-2-[4-(2,4-difluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 164537557) has the molecular formula C23H24F2N6O2 and a molecular weight of 454.48 g/mol. Its IUPAC name is (7R)-2-[4-(2,4-difluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name(7R)-2-[4-(2,4-difluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
PubChem CID164537557
Molecular FormulaC23H24F2N6O2
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC Name(7R)-2-[4-(2,4-difluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c2c(nn1-c1ccc(Oc3ccc(F)cc3F)cc1)[C@H](N1CCNCC1)CCN2
InChIInChI=1S/C23H24F2N6O2/c24-14-1-6-19(17(25)13-14)33-16-4-2-15(3-5-16)31-22(23(26)32)21-20(29-31)18(7-8-28-21)30-11-9-27-10-12-30/h1-6,13,18,27-28H,7-12H2,(H2,26,32)/t18-/m1/s1
InChIKeyMYHDZWISZQFXNM-GOSISDBHSA-N
XLogP2.80
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-[4-(2,4-difluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The IUPAC name of (7R)-2-[4-(2,4-difluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide (CID 164537557) is (7R)-2-[4-(2,4-difluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide.
What is the SMILES notation for (7R)-2-[4-(2,4-difluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The canonical SMILES for (7R)-2-[4-(2,4-difluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide is NC(=O)c1c2c(nn1-c1ccc(Oc3ccc(F)cc3F)cc1)[C@H](N1CCNCC1)CCN2.
What is the InChIKey of (7R)-2-[4-(2,4-difluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The InChIKey is MYHDZWISZQFXNM-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24F2N6O2/c24-14-1-6-19(17(25)13-14)33-16-4-2-15(3-5-16)31-22(23(26)32)21-20(29-31)18(7-8-28-21)30-11-9-27-10-12-30/h1-6,13,18,27-28H,7-12H2,(H2,26,32)/t18-/m1/s1.
What are the key properties of (7R)-2-[4-(2,4-difluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
(7R)-2-[4-(2,4-difluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[4-(2,4-difluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 164537557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).