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

C24H25N7O2 — CID 164537525

IUPAC(7R)-2-[4-(3-cyanophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
SMILESN#Cc1cccc(Oc2ccc(-n3nc4c(c3C(N)=O)NCC[C@H]4N3CCNCC3)cc2)c1
InChIInChI=1S/C24H25N7O2/c25-15-16-2-1-3-19(14-16)33-18-6-4-17(5-7-18)31-23(24(26)32)22-21(29-31)20(8-9-28-22)30-12-10-27-11-13-30/h1-7,14,20,27-28H,8-13H2,(H2,26,32)/t20-/m1/s1
InChIKeyOLTNXXNPWJGGOU-HXUWFJFHSA-N
MW443.51 g/mol
LogP2.40
Rot. Bonds5

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

(7R)-2-[4-(3-cyanophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 164537525) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is (7R)-2-[4-(3-cyanophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name(7R)-2-[4-(3-cyanophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
PubChem CID164537525
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name(7R)-2-[4-(3-cyanophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
SMILESN#Cc1cccc(Oc2ccc(-n3nc4c(c3C(N)=O)NCC[C@H]4N3CCNCC3)cc2)c1
InChIInChI=1S/C24H25N7O2/c25-15-16-2-1-3-19(14-16)33-18-6-4-17(5-7-18)31-23(24(26)32)22-21(29-31)20(8-9-28-22)30-12-10-27-11-13-30/h1-7,14,20,27-28H,8-13H2,(H2,26,32)/t20-/m1/s1
InChIKeyOLTNXXNPWJGGOU-HXUWFJFHSA-N
XLogP2.40
TPSA121.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-[4-(3-cyanophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The IUPAC name of (7R)-2-[4-(3-cyanophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide (CID 164537525) is (7R)-2-[4-(3-cyanophenoxy)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-(3-cyanophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The canonical SMILES for (7R)-2-[4-(3-cyanophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide is N#Cc1cccc(Oc2ccc(-n3nc4c(c3C(N)=O)NCC[C@H]4N3CCNCC3)cc2)c1.
What is the InChIKey of (7R)-2-[4-(3-cyanophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The InChIKey is OLTNXXNPWJGGOU-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N7O2/c25-15-16-2-1-3-19(14-16)33-18-6-4-17(5-7-18)31-23(24(26)32)22-21(29-31)20(8-9-28-22)30-12-10-27-11-13-30/h1-7,14,20,27-28H,8-13H2,(H2,26,32)/t20-/m1/s1.
What are the key properties of (7R)-2-[4-(3-cyanophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
(7R)-2-[4-(3-cyanophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[4-(3-cyanophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 164537525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).