2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide

C21H20FN7O3 — CID 118608527

IUPAC2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide
SMILESCn1ncc2cc(N3CC[C@H](O)C3)c(NC(=O)c3coc(-c4ccnc(N)c4F)n3)cc21
InChIInChI=1S/C21H20FN7O3/c1-28-16-7-14(17(6-11(16)8-25-28)29-5-3-12(30)9-29)26-20(31)15-10-32-21(27-15)13-2-4-24-19(23)18(13)22/h2,4,6-8,10,12,30H,3,5,9H2,1H3,(H2,23,24)(H,26,31)/t12-/m0/s1
InChIKeyILWXVBINXNFGBI-LBPRGKRZSA-N
MW437.44 g/mol
LogP2.17
Rot. Bonds4

About 2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide

2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide (PubChem CID 118608527) has the molecular formula C21H20FN7O3 and a molecular weight of 437.44 g/mol. Its IUPAC name is 2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide
PubChem CID118608527
Molecular FormulaC21H20FN7O3
Molecular Weight437.44 g/mol
Exact Mass437.16
IUPAC Name2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide
SMILESCn1ncc2cc(N3CC[C@H](O)C3)c(NC(=O)c3coc(-c4ccnc(N)c4F)n3)cc21
InChIInChI=1S/C21H20FN7O3/c1-28-16-7-14(17(6-11(16)8-25-28)29-5-3-12(30)9-29)26-20(31)15-10-32-21(27-15)13-2-4-24-19(23)18(13)22/h2,4,6-8,10,12,30H,3,5,9H2,1H3,(H2,23,24)(H,26,31)/t12-/m0/s1
InChIKeyILWXVBINXNFGBI-LBPRGKRZSA-N
XLogP2.17
TPSA135.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide
CID 118608421
N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226651
N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118608558
N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 118608416
N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 118608462
N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226580
N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 118608508
N-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226751
N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 162329642
N-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide
CID 118226623
N-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 138457212
1-(1-methylindazol-5-yl)pyrrolidin-3-ol
CID 151995234

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide (CID 118608527) is 2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide is Cn1ncc2cc(N3CC[C@H](O)C3)c(NC(=O)c3coc(-c4ccnc(N)c4F)n3)cc21.
What is the InChIKey of 2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is ILWXVBINXNFGBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H20FN7O3/c1-28-16-7-14(17(6-11(16)8-25-28)29-5-3-12(30)9-29)26-20(31)15-10-32-21(27-15)13-2-4-24-19(23)18(13)22/h2,4,6-8,10,12,30H,3,5,9H2,1H3,(H2,23,24)(H,26,31)/t12-/m0/s1.
What are the key properties of 2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide?
2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 437.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118608527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).