N-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxetan-3-amine

C26H31FN6O2 — CID 138686780

IUPACN-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxetan-3-amine
SMILESCOc1cc(-c2[nH]c3cc(F)c(C4CCC(NC5COC5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H31FN6O2/c1-14(2)22-24(16-8-21(34-3)26-28-13-29-33(26)10-16)31-20-9-19(27)23(32-25(20)22)15-4-6-17(7-5-15)30-18-11-35-12-18/h8-10,13-15,17-18,30-31H,4-7,11-12H2,1-3H3
InChIKeyYHJBEMMLINBDQJ-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.56
Rot. Bonds6

About N-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxetan-3-amine

N-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxetan-3-amine (PubChem CID 138686780) has the molecular formula C26H31FN6O2 and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxetan-3-amine
PubChem CID138686780
Molecular FormulaC26H31FN6O2
Molecular Weight478.57 g/mol
Exact Mass478.25
IUPAC NameN-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxetan-3-amine
SMILESCOc1cc(-c2[nH]c3cc(F)c(C4CCC(NC5COC5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H31FN6O2/c1-14(2)22-24(16-8-21(34-3)26-28-13-29-33(26)10-16)31-20-9-19(27)23(32-25(20)22)15-4-6-17(7-5-15)30-18-11-35-12-18/h8-10,13-15,17-18,30-31H,4-7,11-12H2,1-3H3
InChIKeyYHJBEMMLINBDQJ-UHFFFAOYSA-N
XLogP4.56
TPSA89.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxetan-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxetan-3-amine?
The IUPAC name of N-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxetan-3-amine (CID 138686780) is N-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxetan-3-amine.
What is the SMILES notation for N-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxetan-3-amine?
The canonical SMILES for N-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxetan-3-amine is COc1cc(-c2[nH]c3cc(F)c(C4CCC(NC5COC5)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of N-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxetan-3-amine?
The InChIKey is YHJBEMMLINBDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O2/c1-14(2)22-24(16-8-21(34-3)26-28-13-29-33(26)10-16)31-20-9-19(27)23(32-25(20)22)15-4-6-17(7-5-15)30-18-11-35-12-18/h8-10,13-15,17-18,30-31H,4-7,11-12H2,1-3H3.
What are the key properties of N-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxetan-3-amine?
N-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxetan-3-amine has a molecular weight of 478.57 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxetan-3-amine is sourced from PubChem (CID 138686780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).