(5S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine

C14H19FN6 — CID 164630023

IUPAC(5S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine
SMILESCCc1ncnc(N[C@@H]2CNc3c(c(C)nn3C)C2)c1F
InChIInChI=1S/C14H19FN6/c1-4-11-12(15)13(18-7-17-11)19-9-5-10-8(2)20-21(3)14(10)16-6-9/h7,9,16H,4-6H2,1-3H3,(H,17,18,19)/t9-/m0/s1
InChIKeyVLAPPWWAAQSAGD-VIFPVBQESA-N
MW290.35 g/mol
LogP1.67
Rot. Bonds3

About (5S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine

(5S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine (PubChem CID 164630023) has the molecular formula C14H19FN6 and a molecular weight of 290.35 g/mol. Its IUPAC name is (5S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound Name(5S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine
PubChem CID164630023
Molecular FormulaC14H19FN6
Molecular Weight290.35 g/mol
Exact Mass290.17
IUPAC Name(5S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine
SMILESCCc1ncnc(N[C@@H]2CNc3c(c(C)nn3C)C2)c1F
InChIInChI=1S/C14H19FN6/c1-4-11-12(15)13(18-7-17-11)19-9-5-10-8(2)20-21(3)14(10)16-6-9/h7,9,16H,4-6H2,1-3H3,(H,17,18,19)/t9-/m0/s1
InChIKeyVLAPPWWAAQSAGD-VIFPVBQESA-N
XLogP1.67
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine?
The IUPAC name of (5S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine (CID 164630023) is (5S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for (5S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for (5S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine is CCc1ncnc(N[C@@H]2CNc3c(c(C)nn3C)C2)c1F.
What is the InChIKey of (5S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine?
The InChIKey is VLAPPWWAAQSAGD-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19FN6/c1-4-11-12(15)13(18-7-17-11)19-9-5-10-8(2)20-21(3)14(10)16-6-9/h7,9,16H,4-6H2,1-3H3,(H,17,18,19)/t9-/m0/s1.
What are the key properties of (5S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine?
(5S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine has a molecular weight of 290.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 164630023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).