N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine

C22H21FN6O — CID 67469617

IUPACN-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCc1ccc(F)c(-c2cc(Nc3ccnc4cn([C@H]5CCOC5)nc34)c(C)cn2)n1
InChIInChI=1S/C22H21FN6O/c1-13-10-25-19(21-16(23)4-3-14(2)26-21)9-18(13)27-17-5-7-24-20-11-29(28-22(17)20)15-6-8-30-12-15/h3-5,7,9-11,15H,6,8,12H2,1-2H3,(H,25,27)/t15-/m0/s1
InChIKeyRUOGYMLFQXFXEM-HNNXBMFYSA-N
MW404.45 g/mol
LogP4.35
Rot. Bonds4

About N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine

N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 67469617) has the molecular formula C22H21FN6O and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine
PubChem CID67469617
Molecular FormulaC22H21FN6O
Molecular Weight404.45 g/mol
Exact Mass404.18
IUPAC NameN-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCc1ccc(F)c(-c2cc(Nc3ccnc4cn([C@H]5CCOC5)nc34)c(C)cn2)n1
InChIInChI=1S/C22H21FN6O/c1-13-10-25-19(21-16(23)4-3-14(2)26-21)9-18(13)27-17-5-7-24-20-11-29(28-22(17)20)15-6-8-30-12-15/h3-5,7,9-11,15H,6,8,12H2,1-2H3,(H,25,27)/t15-/m0/s1
InChIKeyRUOGYMLFQXFXEM-HNNXBMFYSA-N
XLogP4.35
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine (CID 67469617) is N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine is Cc1ccc(F)c(-c2cc(Nc3ccnc4cn([C@H]5CCOC5)nc34)c(C)cn2)n1.
What is the InChIKey of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is RUOGYMLFQXFXEM-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21FN6O/c1-13-10-25-19(21-16(23)4-3-14(2)26-21)9-18(13)27-17-5-7-24-20-11-29(28-22(17)20)15-6-8-30-12-15/h3-5,7,9-11,15H,6,8,12H2,1-2H3,(H,25,27)/t15-/m0/s1.
What are the key properties of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine?
N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 404.45 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 67469617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).