N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

C23H24N6O3 — CID 118608558

IUPACN-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCCn1ncc2cc(N3CC[C@H](O)C3)c(NC(=O)c3coc(-c4ccnc(C)c4)n3)cc21
InChIInChI=1S/C23H24N6O3/c1-3-29-20-10-18(21(9-16(20)11-25-29)28-7-5-17(30)12-28)26-22(31)19-13-32-23(27-19)15-4-6-24-14(2)8-15/h4,6,8-11,13,17,30H,3,5,7,12H2,1-2H3,(H,26,31)/t17-/m0/s1
InChIKeyMRFCWPWCWDIYQG-KRWDZBQOSA-N
MW432.48 g/mol
LogP3.24
Rot. Bonds5

About N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 118608558) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID118608558
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC NameN-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCCn1ncc2cc(N3CC[C@H](O)C3)c(NC(=O)c3coc(-c4ccnc(C)c4)n3)cc21
InChIInChI=1S/C23H24N6O3/c1-3-29-20-10-18(21(9-16(20)11-25-29)28-7-5-17(30)12-28)26-22(31)19-13-32-23(27-19)15-4-6-24-14(2)8-15/h4,6,8-11,13,17,30H,3,5,7,12H2,1-2H3,(H,26,31)/t17-/m0/s1
InChIKeyMRFCWPWCWDIYQG-KRWDZBQOSA-N
XLogP3.24
TPSA109.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 118608558) is N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is CCn1ncc2cc(N3CC[C@H](O)C3)c(NC(=O)c3coc(-c4ccnc(C)c4)n3)cc21.
What is the InChIKey of N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is MRFCWPWCWDIYQG-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-3-29-20-10-18(21(9-16(20)11-25-29)28-7-5-17(30)12-28)26-22(31)19-13-32-23(27-19)15-4-6-24-14(2)8-15/h4,6,8-11,13,17,30H,3,5,7,12H2,1-2H3,(H,26,31)/t17-/m0/s1.
What are the key properties of N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118608558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).