1-[5-[5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]piperidin-4-amine

C23H22FN5 — CID 67960184

IUPAC1-[5-[5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]piperidin-4-amine
SMILESNC1CCN(c2cncc(-c3c[nH]c4ccc(-c5ccccc5F)nc34)c2)CC1
InChIInChI=1S/C23H22FN5/c24-20-4-2-1-3-18(20)21-5-6-22-23(28-21)19(14-27-22)15-11-17(13-26-12-15)29-9-7-16(25)8-10-29/h1-6,11-14,16,27H,7-10,25H2
InChIKeyRASBPRAVXPDXSQ-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.36
Rot. Bonds3

About 1-[5-[5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]piperidin-4-amine

1-[5-[5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]piperidin-4-amine (PubChem CID 67960184) has the molecular formula C23H22FN5 and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-[5-[5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-[5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]piperidin-4-amine
PubChem CID67960184
Molecular FormulaC23H22FN5
Molecular Weight387.46 g/mol
Exact Mass387.19
IUPAC Name1-[5-[5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]piperidin-4-amine
SMILESNC1CCN(c2cncc(-c3c[nH]c4ccc(-c5ccccc5F)nc34)c2)CC1
InChIInChI=1S/C23H22FN5/c24-20-4-2-1-3-18(20)21-5-6-22-23(28-21)19(14-27-22)15-11-17(13-26-12-15)29-9-7-16(25)8-10-29/h1-6,11-14,16,27H,7-10,25H2
InChIKeyRASBPRAVXPDXSQ-UHFFFAOYSA-N
XLogP4.36
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[5-[5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]piperidin-4-amine (CID 67960184) is 1-[5-[5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[5-[5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[5-[5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]piperidin-4-amine is NC1CCN(c2cncc(-c3c[nH]c4ccc(-c5ccccc5F)nc34)c2)CC1.
What is the InChIKey of 1-[5-[5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]piperidin-4-amine?
The InChIKey is RASBPRAVXPDXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5/c24-20-4-2-1-3-18(20)21-5-6-22-23(28-21)19(14-27-22)15-11-17(13-26-12-15)29-9-7-16(25)8-10-29/h1-6,11-14,16,27H,7-10,25H2.
What are the key properties of 1-[5-[5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]piperidin-4-amine?
1-[5-[5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]piperidin-4-amine has a molecular weight of 387.46 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 67960184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).