N-[(2-methoxyphenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine

C19H20F3N5O — CID 92621291

IUPACN-[(2-methoxyphenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCOc1ccccc1CNc1n[nH]c2nc([C@@H]3CCCN3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H20F3N5O/c1-28-15-7-3-2-5-11(15)10-24-17-16-12(19(20,21)22)9-14(13-6-4-8-23-13)25-18(16)27-26-17/h2-3,5,7,9,13,23H,4,6,8,10H2,1H3,(H2,24,25,26,27)/t13-/m0/s1
InChIKeyGPJYBEBUIOJJAZ-ZDUSSCGKSA-N
MW391.40 g/mol
LogP4.02
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine

N-[(2-methoxyphenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 92621291) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
PubChem CID92621291
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCOc1ccccc1CNc1n[nH]c2nc([C@@H]3CCCN3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H20F3N5O/c1-28-15-7-3-2-5-11(15)10-24-17-16-12(19(20,21)22)9-14(13-6-4-8-23-13)25-18(16)27-26-17/h2-3,5,7,9,13,23H,4,6,8,10H2,1H3,(H2,24,25,26,27)/t13-/m0/s1
InChIKeyGPJYBEBUIOJJAZ-ZDUSSCGKSA-N
XLogP4.02
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (CID 92621291) is N-[(2-methoxyphenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is COc1ccccc1CNc1n[nH]c2nc([C@@H]3CCCN3)cc(C(F)(F)F)c12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is GPJYBEBUIOJJAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-28-15-7-3-2-5-11(15)10-24-17-16-12(19(20,21)22)9-14(13-6-4-8-23-13)25-18(16)27-26-17/h2-3,5,7,9,13,23H,4,6,8,10H2,1H3,(H2,24,25,26,27)/t13-/m0/s1.
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
N-[(2-methoxyphenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 391.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 92621291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).