N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine

C30H28F2N6 — CID 67013608

IUPACN-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine
SMILESFc1ccc(-c2nc3nn(CCNC4CCNCC4)cc3c(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C30H28F2N6/c31-23-5-1-20(2-6-23)27-26-19-38(18-17-35-25-11-15-34-16-12-25)37-30(26)36-29(22-3-7-24(32)8-4-22)28(27)21-9-13-33-14-10-21/h1-10,13-14,19,25,34-35H,11-12,15-18H2
InChIKeyHOMSDQDDRKZWSF-UHFFFAOYSA-N
MW510.59 g/mol
LogP5.45
Rot. Bonds7

About N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine

N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine (PubChem CID 67013608) has the molecular formula C30H28F2N6 and a molecular weight of 510.59 g/mol. Its IUPAC name is N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine
PubChem CID67013608
Molecular FormulaC30H28F2N6
Molecular Weight510.59 g/mol
Exact Mass510.23
IUPAC NameN-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine
SMILESFc1ccc(-c2nc3nn(CCNC4CCNCC4)cc3c(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C30H28F2N6/c31-23-5-1-20(2-6-23)27-26-19-38(18-17-35-25-11-15-34-16-12-25)37-30(26)36-29(22-3-7-24(32)8-4-22)28(27)21-9-13-33-14-10-21/h1-10,13-14,19,25,34-35H,11-12,15-18H2
InChIKeyHOMSDQDDRKZWSF-UHFFFAOYSA-N
XLogP5.45
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine?
The IUPAC name of N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine (CID 67013608) is N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine.
What is the SMILES notation for N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine?
The canonical SMILES for N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine is Fc1ccc(-c2nc3nn(CCNC4CCNCC4)cc3c(-c3ccc(F)cc3)c2-c2ccncc2)cc1.
What is the InChIKey of N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine?
The InChIKey is HOMSDQDDRKZWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N6/c31-23-5-1-20(2-6-23)27-26-19-38(18-17-35-25-11-15-34-16-12-25)37-30(26)36-29(22-3-7-24(32)8-4-22)28(27)21-9-13-33-14-10-21/h1-10,13-14,19,25,34-35H,11-12,15-18H2.
What are the key properties of N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine?
N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine has a molecular weight of 510.59 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine is sourced from PubChem (CID 67013608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).