1-[5-[[9-fluoro-5,5-dimethyl-8-(2-oxopyrrolidin-1-yl)chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one

C26H25FN6O3 — CID 142612237

IUPAC1-[5-[[9-fluoro-5,5-dimethyl-8-(2-oxopyrrolidin-1-yl)chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one
SMILESCC1(C)Oc2cc(N3CCCC3=O)c(F)cc2-c2cnc(Nc3cncc(N4CCNC4=O)c3)cc21
InChIInChI=1S/C26H25FN6O3/c1-26(2)19-10-23(31-15-8-16(13-28-12-15)32-7-5-29-25(32)35)30-14-18(19)17-9-20(27)21(11-22(17)36-26)33-6-3-4-24(33)34/h8-14H,3-7H2,1-2H3,(H,29,35)(H,30,31)
InChIKeyHMBCFRQNYWFOSH-UHFFFAOYSA-N
MW488.52 g/mol
LogP4.31
Rot. Bonds4

About 1-[5-[[9-fluoro-5,5-dimethyl-8-(2-oxopyrrolidin-1-yl)chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one

1-[5-[[9-fluoro-5,5-dimethyl-8-(2-oxopyrrolidin-1-yl)chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one (PubChem CID 142612237) has the molecular formula C26H25FN6O3 and a molecular weight of 488.52 g/mol. Its IUPAC name is 1-[5-[[9-fluoro-5,5-dimethyl-8-(2-oxopyrrolidin-1-yl)chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[[9-fluoro-5,5-dimethyl-8-(2-oxopyrrolidin-1-yl)chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one
PubChem CID142612237
Molecular FormulaC26H25FN6O3
Molecular Weight488.52 g/mol
Exact Mass488.20
IUPAC Name1-[5-[[9-fluoro-5,5-dimethyl-8-(2-oxopyrrolidin-1-yl)chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one
SMILESCC1(C)Oc2cc(N3CCCC3=O)c(F)cc2-c2cnc(Nc3cncc(N4CCNC4=O)c3)cc21
InChIInChI=1S/C26H25FN6O3/c1-26(2)19-10-23(31-15-8-16(13-28-12-15)32-7-5-29-25(32)35)30-14-18(19)17-9-20(27)21(11-22(17)36-26)33-6-3-4-24(33)34/h8-14H,3-7H2,1-2H3,(H,29,35)(H,30,31)
InChIKeyHMBCFRQNYWFOSH-UHFFFAOYSA-N
XLogP4.31
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[9-fluoro-5,5-dimethyl-8-(2-oxopyrrolidin-1-yl)chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-[5-[[9-fluoro-5,5-dimethyl-8-(2-oxopyrrolidin-1-yl)chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one (CID 142612237) is 1-[5-[[9-fluoro-5,5-dimethyl-8-(2-oxopyrrolidin-1-yl)chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-[5-[[9-fluoro-5,5-dimethyl-8-(2-oxopyrrolidin-1-yl)chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-[5-[[9-fluoro-5,5-dimethyl-8-(2-oxopyrrolidin-1-yl)chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one is CC1(C)Oc2cc(N3CCCC3=O)c(F)cc2-c2cnc(Nc3cncc(N4CCNC4=O)c3)cc21.
What is the InChIKey of 1-[5-[[9-fluoro-5,5-dimethyl-8-(2-oxopyrrolidin-1-yl)chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one?
The InChIKey is HMBCFRQNYWFOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O3/c1-26(2)19-10-23(31-15-8-16(13-28-12-15)32-7-5-29-25(32)35)30-14-18(19)17-9-20(27)21(11-22(17)36-26)33-6-3-4-24(33)34/h8-14H,3-7H2,1-2H3,(H,29,35)(H,30,31).
What are the key properties of 1-[5-[[9-fluoro-5,5-dimethyl-8-(2-oxopyrrolidin-1-yl)chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one?
1-[5-[[9-fluoro-5,5-dimethyl-8-(2-oxopyrrolidin-1-yl)chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one has a molecular weight of 488.52 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[9-fluoro-5,5-dimethyl-8-(2-oxopyrrolidin-1-yl)chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 142612237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).