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RMTFKVQQWWDVDP-UHFFFAOYSA-N

C18H20F3N5O2 — CID 137049156

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[5-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCCC(C(F)(F)F)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C18H20F3N5O2/c1-10-13(16(28)25-7-3-4-11(9-25)18(19,20)21)8-22-26(10)17-23-14-6-2-5-12(14)15(27)24-17/h8,11H,2-7,9H2,1H3,(H,23,24,27)
InChIKeyRMTFKVQQWWDVDP-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.17
Rot. Bonds2

About RMTFKVQQWWDVDP-UHFFFAOYSA-N

RMTFKVQQWWDVDP-UHFFFAOYSA-N (PubChem CID 137049156) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 2-[5-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound NameRMTFKVQQWWDVDP-UHFFFAOYSA-N
PubChem CID137049156
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name2-[5-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCCC(C(F)(F)F)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C18H20F3N5O2/c1-10-13(16(28)25-7-3-4-11(9-25)18(19,20)21)8-22-26(10)17-23-14-6-2-5-12(14)15(27)24-17/h8,11H,2-7,9H2,1H3,(H,23,24,27)
InChIKeyRMTFKVQQWWDVDP-UHFFFAOYSA-N
XLogP2.17
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of RMTFKVQQWWDVDP-UHFFFAOYSA-N?
The IUPAC name of RMTFKVQQWWDVDP-UHFFFAOYSA-N (CID 137049156) is 2-[5-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for RMTFKVQQWWDVDP-UHFFFAOYSA-N?
The canonical SMILES for RMTFKVQQWWDVDP-UHFFFAOYSA-N is Cc1c(C(=O)N2CCCC(C(F)(F)F)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of RMTFKVQQWWDVDP-UHFFFAOYSA-N?
The InChIKey is RMTFKVQQWWDVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-10-13(16(28)25-7-3-4-11(9-25)18(19,20)21)8-22-26(10)17-23-14-6-2-5-12(14)15(27)24-17/h8,11H,2-7,9H2,1H3,(H,23,24,27).
What are the key properties of RMTFKVQQWWDVDP-UHFFFAOYSA-N?
RMTFKVQQWWDVDP-UHFFFAOYSA-N has a molecular weight of 395.39 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for RMTFKVQQWWDVDP-UHFFFAOYSA-N is sourced from PubChem (CID 137049156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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