1-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine

C30H28F2N6 — CID 67013387

IUPAC1-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine
SMILESNC1CCN(CCn2cc3c(-c4ccc(F)cc4)c(-c4ccncc4)c(-c4ccc(F)cc4)nc3n2)CC1
InChIInChI=1S/C30H28F2N6/c31-23-5-1-20(2-6-23)27-26-19-38(18-17-37-15-11-25(33)12-16-37)36-30(26)35-29(22-3-7-24(32)8-4-22)28(27)21-9-13-34-14-10-21/h1-10,13-14,19,25H,11-12,15-18,33H2
InChIKeyJBHUIFVMJXRZQQ-UHFFFAOYSA-N
MW510.59 g/mol
LogP5.53
Rot. Bonds6

About 1-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine

1-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine (PubChem CID 67013387) has the molecular formula C30H28F2N6 and a molecular weight of 510.59 g/mol. Its IUPAC name is 1-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine
PubChem CID67013387
Molecular FormulaC30H28F2N6
Molecular Weight510.59 g/mol
Exact Mass510.23
IUPAC Name1-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine
SMILESNC1CCN(CCn2cc3c(-c4ccc(F)cc4)c(-c4ccncc4)c(-c4ccc(F)cc4)nc3n2)CC1
InChIInChI=1S/C30H28F2N6/c31-23-5-1-20(2-6-23)27-26-19-38(18-17-37-15-11-25(33)12-16-37)36-30(26)35-29(22-3-7-24(32)8-4-22)28(27)21-9-13-34-14-10-21/h1-10,13-14,19,25H,11-12,15-18,33H2
InChIKeyJBHUIFVMJXRZQQ-UHFFFAOYSA-N
XLogP5.53
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine (CID 67013387) is 1-[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 1-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine is NC1CCN(CCn2cc3c(-c4ccc(F)cc4)c(-c4ccncc4)c(-c4ccc(F)cc4)nc3n2)CC1.
What is the InChIKey of 1-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine?
The InChIKey is JBHUIFVMJXRZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N6/c31-23-5-1-20(2-6-23)27-26-19-38(18-17-37-15-11-25(33)12-16-37)36-30(26)35-29(22-3-7-24(32)8-4-22)28(27)21-9-13-34-14-10-21/h1-10,13-14,19,25H,11-12,15-18,33H2.
What are the key properties of 1-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-amine?
1-[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 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[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 67013387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).