5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

C20H19FN8 — CID 166625278

IUPAC5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1c[nH]c2ncccc12
InChIInChI=1S/C20H19FN8/c21-16-12-26-20(28-18(16)15-11-25-19-14(15)2-1-5-23-19)27-17-4-3-13(10-24-17)29-8-6-22-7-9-29/h1-5,10-12,22H,6-9H2,(H,23,25)(H,24,26,27,28)
InChIKeyIUNFVCUQVDDZRS-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.71
Rot. Bonds4

About 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 166625278) has the molecular formula C20H19FN8 and a molecular weight of 390.43 g/mol. Its IUPAC name is 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID166625278
Molecular FormulaC20H19FN8
Molecular Weight390.43 g/mol
Exact Mass390.17
IUPAC Name5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1c[nH]c2ncccc12
InChIInChI=1S/C20H19FN8/c21-16-12-26-20(28-18(16)15-11-25-19-14(15)2-1-5-23-19)27-17-4-3-13(10-24-17)29-8-6-22-7-9-29/h1-5,10-12,22H,6-9H2,(H,23,25)(H,24,26,27,28)
InChIKeyIUNFVCUQVDDZRS-UHFFFAOYSA-N
XLogP2.71
TPSA94.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 166625278) is 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is Fc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1c[nH]c2ncccc12.
What is the InChIKey of 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is IUNFVCUQVDDZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN8/c21-16-12-26-20(28-18(16)15-11-25-19-14(15)2-1-5-23-19)27-17-4-3-13(10-24-17)29-8-6-22-7-9-29/h1-5,10-12,22H,6-9H2,(H,23,25)(H,24,26,27,28).
What are the key properties of 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 390.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 166625278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).