3-[(R)-amino-[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-cyclopropyl-6-ethyl-2-methylpyrazolo[3,4-c]pyridin-7-one

C19H20F3N5O — CID 172639011

IUPAC3-[(R)-amino-[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-cyclopropyl-6-ethyl-2-methylpyrazolo[3,4-c]pyridin-7-one
SMILESCCn1cc(C2CC2)c2c([C@H](N)c3ccc(C(F)(F)F)nc3)n(C)nc2c1=O
InChIInChI=1S/C19H20F3N5O/c1-3-27-9-12(10-4-5-10)14-16(18(27)28)25-26(2)17(14)15(23)11-6-7-13(24-8-11)19(20,21)22/h6-10,15H,3-5,23H2,1-2H3/t15-/m1/s1
InChIKeyFCUYAHDXEGMACQ-OAHLLOKOSA-N
MW391.40 g/mol
LogP3.09
Rot. Bonds4

About 3-[(R)-amino-[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-cyclopropyl-6-ethyl-2-methylpyrazolo[3,4-c]pyridin-7-one

3-[(R)-amino-[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-cyclopropyl-6-ethyl-2-methylpyrazolo[3,4-c]pyridin-7-one (PubChem CID 172639011) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 3-[(R)-amino-[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-cyclopropyl-6-ethyl-2-methylpyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name3-[(R)-amino-[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-cyclopropyl-6-ethyl-2-methylpyrazolo[3,4-c]pyridin-7-one
PubChem CID172639011
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name3-[(R)-amino-[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-cyclopropyl-6-ethyl-2-methylpyrazolo[3,4-c]pyridin-7-one
SMILESCCn1cc(C2CC2)c2c([C@H](N)c3ccc(C(F)(F)F)nc3)n(C)nc2c1=O
InChIInChI=1S/C19H20F3N5O/c1-3-27-9-12(10-4-5-10)14-16(18(27)28)25-26(2)17(14)15(23)11-6-7-13(24-8-11)19(20,21)22/h6-10,15H,3-5,23H2,1-2H3/t15-/m1/s1
InChIKeyFCUYAHDXEGMACQ-OAHLLOKOSA-N
XLogP3.09
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(R)-amino-[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-cyclopropyl-6-ethyl-2-methylpyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 3-[(R)-amino-[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-cyclopropyl-6-ethyl-2-methylpyrazolo[3,4-c]pyridin-7-one (CID 172639011) is 3-[(R)-amino-[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-cyclopropyl-6-ethyl-2-methylpyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 3-[(R)-amino-[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-cyclopropyl-6-ethyl-2-methylpyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 3-[(R)-amino-[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-cyclopropyl-6-ethyl-2-methylpyrazolo[3,4-c]pyridin-7-one is CCn1cc(C2CC2)c2c([C@H](N)c3ccc(C(F)(F)F)nc3)n(C)nc2c1=O.
What is the InChIKey of 3-[(R)-amino-[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-cyclopropyl-6-ethyl-2-methylpyrazolo[3,4-c]pyridin-7-one?
The InChIKey is FCUYAHDXEGMACQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-3-27-9-12(10-4-5-10)14-16(18(27)28)25-26(2)17(14)15(23)11-6-7-13(24-8-11)19(20,21)22/h6-10,15H,3-5,23H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-[(R)-amino-[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-cyclopropyl-6-ethyl-2-methylpyrazolo[3,4-c]pyridin-7-one?
3-[(R)-amino-[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-cyclopropyl-6-ethyl-2-methylpyrazolo[3,4-c]pyridin-7-one has a molecular weight of 391.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-amino-[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-cyclopropyl-6-ethyl-2-methylpyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 172639011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).