CID 90235599

C20H17FN4O5 — CID 90235599

IUPAC—
SMILESO=C(O)NC1=NC2(CO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1OCC21CC1
InChIInChI=1S/C20H17FN4O5/c21-11-1-3-14(22-8-11)16(26)23-12-2-4-15-13(7-12)20(19(5-6-19)9-29-15)10-30-17(25-20)24-18(27)28/h1-4,7-8H,5-6,9-10H2,(H,23,26)(H,24,25)(H,27,28)
InChIKeyFSJJOQYUHYHOIK-UHFFFAOYSA-N
MW412.38 g/mol
LogP2.49
Rot. Bonds2

About CID 90235599

CID 90235599 (PubChem CID 90235599) has the molecular formula C20H17FN4O5 and a molecular weight of 412.38 g/mol.

Molecular Properties

Compound NameCID 90235599
PubChem CID90235599
Molecular FormulaC20H17FN4O5
Molecular Weight412.38 g/mol
Exact Mass412.12
IUPAC Name—
SMILESO=C(O)NC1=NC2(CO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1OCC21CC1
InChIInChI=1S/C20H17FN4O5/c21-11-1-3-14(22-8-11)16(26)23-12-2-4-15-13(7-12)20(19(5-6-19)9-29-15)10-30-17(25-20)24-18(27)28/h1-4,7-8H,5-6,9-10H2,(H,23,26)(H,24,25)(H,27,28)
InChIKeyFSJJOQYUHYHOIK-UHFFFAOYSA-N
XLogP2.49
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(3-bromo-4-chlorophenyl)-5-fluoropyridine-2-carboxamide
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N-[3-(2-amino-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-8a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
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N-[3-[(5S)-3-amino-5-methyl-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
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5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid
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N-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 57475760
3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638360
N-[(4S)-2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of CID 90235599?
The IUPAC name of CID 90235599 (CID 90235599) is not available.
What is the SMILES notation for CID 90235599?
The canonical SMILES for CID 90235599 is O=C(O)NC1=NC2(CO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1OCC21CC1.
What is the InChIKey of CID 90235599?
The InChIKey is FSJJOQYUHYHOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O5/c21-11-1-3-14(22-8-11)16(26)23-12-2-4-15-13(7-12)20(19(5-6-19)9-29-15)10-30-17(25-20)24-18(27)28/h1-4,7-8H,5-6,9-10H2,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of CID 90235599?
CID 90235599 has a molecular weight of 412.38 g/mol, XLogP of 2.49, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90235599 is sourced from PubChem (CID 90235599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).