N-[(4S)-1-[3-(trifluoromethoxy)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C21H20F3N5O3 — CID 169106136

IUPACN-[(4S)-1-[3-(trifluoromethoxy)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(N[C@@H]1COCc2c1cnn2-c1cccc(OC(F)(F)F)c1)c1ncn2c1CCCC2
InChIInChI=1S/C21H20F3N5O3/c22-21(23,24)32-14-5-3-4-13(8-14)29-18-11-31-10-16(15(18)9-26-29)27-20(30)19-17-6-1-2-7-28(17)12-25-19/h3-5,8-9,12,16H,1-2,6-7,10-11H2,(H,27,30)/t16-/m1/s1
InChIKeyKISQISIJQFBJAQ-MRXNPFEDSA-N
MW447.42 g/mol
LogP3.31
Rot. Bonds4

About N-[(4S)-1-[3-(trifluoromethoxy)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-[(4S)-1-[3-(trifluoromethoxy)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 169106136) has the molecular formula C21H20F3N5O3 and a molecular weight of 447.42 g/mol. Its IUPAC name is N-[(4S)-1-[3-(trifluoromethoxy)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-[3-(trifluoromethoxy)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID169106136
Molecular FormulaC21H20F3N5O3
Molecular Weight447.42 g/mol
Exact Mass447.15
IUPAC NameN-[(4S)-1-[3-(trifluoromethoxy)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(N[C@@H]1COCc2c1cnn2-c1cccc(OC(F)(F)F)c1)c1ncn2c1CCCC2
InChIInChI=1S/C21H20F3N5O3/c22-21(23,24)32-14-5-3-4-13(8-14)29-18-11-31-10-16(15(18)9-26-29)27-20(30)19-17-6-1-2-7-28(17)12-25-19/h3-5,8-9,12,16H,1-2,6-7,10-11H2,(H,27,30)/t16-/m1/s1
InChIKeyKISQISIJQFBJAQ-MRXNPFEDSA-N
XLogP3.31
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-[3-(trifluoromethoxy)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[(4S)-1-[3-(trifluoromethoxy)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 169106136) is N-[(4S)-1-[3-(trifluoromethoxy)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[(4S)-1-[3-(trifluoromethoxy)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[(4S)-1-[3-(trifluoromethoxy)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is O=C(N[C@@H]1COCc2c1cnn2-c1cccc(OC(F)(F)F)c1)c1ncn2c1CCCC2.
What is the InChIKey of N-[(4S)-1-[3-(trifluoromethoxy)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is KISQISIJQFBJAQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20F3N5O3/c22-21(23,24)32-14-5-3-4-13(8-14)29-18-11-31-10-16(15(18)9-26-29)27-20(30)19-17-6-1-2-7-28(17)12-25-19/h3-5,8-9,12,16H,1-2,6-7,10-11H2,(H,27,30)/t16-/m1/s1.
What are the key properties of N-[(4S)-1-[3-(trifluoromethoxy)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
N-[(4S)-1-[3-(trifluoromethoxy)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 447.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-[3-(trifluoromethoxy)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 169106136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).