(4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C24H23N7O2 — CID 1306704

IUPAC(4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1[C@H](c1ccc(OC)c(Cn3nnc4ccccc43)c1)C(C#N)=C(N)O2
InChIInChI=1S/C24H23N7O2/c1-3-6-18-22-21(16(12-25)23(26)33-24(22)29-27-18)14-9-10-20(32-2)15(11-14)13-31-19-8-5-4-7-17(19)28-30-31/h4-5,7-11,21H,3,6,13,26H2,1-2H3,(H,27,29)/t21-/m1/s1
InChIKeyZIWIFQWCVNJBCS-OAQYLSRUSA-N
MW441.50 g/mol
LogP3.38
Rot. Bonds6

About (4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 1306704) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is (4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID1306704
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name(4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1[C@H](c1ccc(OC)c(Cn3nnc4ccccc43)c1)C(C#N)=C(N)O2
InChIInChI=1S/C24H23N7O2/c1-3-6-18-22-21(16(12-25)23(26)33-24(22)29-27-18)14-9-10-20(32-2)15(11-14)13-31-19-8-5-4-7-17(19)28-30-31/h4-5,7-11,21H,3,6,13,26H2,1-2H3,(H,27,29)/t21-/m1/s1
InChIKeyZIWIFQWCVNJBCS-OAQYLSRUSA-N
XLogP3.38
TPSA127.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(4S)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1289980
(4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1289979
(4S)-6-amino-4-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2201614
6-amino-4-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2952452
6-amino-3-(benzotriazol-1-ylmethyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 23247463
6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838692
(4S)-6-amino-4-(3,4-dimethoxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 673015
(4R)-6-amino-3-propyl-4-(2,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1003403
ethyl 2-[(4S)-6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
CID 1086184
(4S)-6-amino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40572658
6-amino-3-propyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2946763
6-amino-3-propyl-4-(2,3,4-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol
CID 44659488

Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 1306704) is (4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCCc1[nH]nc2c1[C@H](c1ccc(OC)c(Cn3nnc4ccccc43)c1)C(C#N)=C(N)O2.
What is the InChIKey of (4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is ZIWIFQWCVNJBCS-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-3-6-18-22-21(16(12-25)23(26)33-24(22)29-27-18)14-9-10-20(32-2)15(11-14)13-31-19-8-5-4-7-17(19)28-30-31/h4-5,7-11,21H,3,6,13,26H2,1-2H3,(H,27,29)/t21-/m1/s1.
What are the key properties of (4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 441.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-4-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 1306704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).