(4S)-6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C24H24N4O3 — CID 7236449

IUPAC(4S)-6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)ccc1OC(C)C
InChIInChI=1S/C24H24N4O3/c1-4-29-19-12-16(10-11-18(19)30-14(2)3)20-17(13-25)23(26)31-24-21(20)22(27-28-24)15-8-6-5-7-9-15/h5-12,14,20H,4,26H2,1-3H3,(H,27,28)/t20-/m0/s1
InChIKeyDORSZGGEBMXJSF-FQEVSTJZSA-N
MW416.48 g/mol
LogP4.48
Rot. Bonds6

About (4S)-6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4S)-6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 7236449) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is (4S)-6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4S)-6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID7236449
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name(4S)-6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)ccc1OC(C)C
InChIInChI=1S/C24H24N4O3/c1-4-29-19-12-16(10-11-18(19)30-14(2)3)20-17(13-25)23(26)31-24-21(20)22(27-28-24)15-8-6-5-7-9-15/h5-12,14,20H,4,26H2,1-3H3,(H,27,28)/t20-/m0/s1
InChIKeyDORSZGGEBMXJSF-FQEVSTJZSA-N
XLogP4.48
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-6-amino-4-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 28701247
6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 45035740
(4S)-6-amino-4-(3-butoxy-4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 7241402
(4S)-6-amino-3-(4-ethoxy-3-methoxyphenyl)-4-(4-phenylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1400415
6-amino-3-(4-ethoxyphenyl)-4-(3-ethoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4640767
6-amino-4-(3,4-dimethoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3714032
6-amino-3-(4-ethoxyphenyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945797
(4S)-6-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1046393
(4S)-6-amino-4-(3,4-diethoxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1086266
(4R)-6-amino-4-(3,4-diethoxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1086265
6-amino-4-(4-propan-2-yloxyphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4272118
6-amino-4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3157854

Frequently Asked Questions

What is the IUPAC name of (4S)-6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4S)-6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 7236449) is (4S)-6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4S)-6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4S)-6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)ccc1OC(C)C.
What is the InChIKey of (4S)-6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is DORSZGGEBMXJSF-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-4-29-19-12-16(10-11-18(19)30-14(2)3)20-17(13-25)23(26)31-24-21(20)22(27-28-24)15-8-6-5-7-9-15/h5-12,14,20H,4,26H2,1-3H3,(H,27,28)/t20-/m0/s1.
What are the key properties of (4S)-6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4S)-6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 416.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 7236449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).