(4R)-3-(1-adamantyl)-6-amino-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C23H24N4O2 — CID 7119371

IUPAC(4R)-3-(1-adamantyl)-6-amino-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(C34CC5CC(CC(C5)C3)C4)c2[C@@H]1c1ccc(O)cc1
InChIInChI=1S/C23H24N4O2/c24-11-17-18(15-1-3-16(28)4-2-15)19-20(26-27-22(19)29-21(17)25)23-8-12-5-13(9-23)7-14(6-12)10-23/h1-4,12-14,18,28H,5-10,25H2,(H,26,27)/t12?,13?,14?,18-,23?/m1/s1
InChIKeySJNPAWCLCGUVMJ-LNKMMKDDSA-N
MW388.47 g/mol
LogP3.80
Rot. Bonds2

About (4R)-3-(1-adamantyl)-6-amino-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4R)-3-(1-adamantyl)-6-amino-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 7119371) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (4R)-3-(1-adamantyl)-6-amino-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4R)-3-(1-adamantyl)-6-amino-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID7119371
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name(4R)-3-(1-adamantyl)-6-amino-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(C34CC5CC(CC(C5)C3)C4)c2[C@@H]1c1ccc(O)cc1
InChIInChI=1S/C23H24N4O2/c24-11-17-18(15-1-3-16(28)4-2-15)19-20(26-27-22(19)29-21(17)25)23-8-12-5-13(9-23)7-14(6-12)10-23/h1-4,12-14,18,28H,5-10,25H2,(H,26,27)/t12?,13?,14?,18-,23?/m1/s1
InChIKeySJNPAWCLCGUVMJ-LNKMMKDDSA-N
XLogP3.80
TPSA107.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4R)-3-(1-adamantyl)-6-amino-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile with MolForge

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Related Compounds

(4S)-6-amino-4-(4-hydroxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 941426
(4R)-6-amino-3-ethyl-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 672938
6-amino-3-tert-butyl-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3155429
6-amino-4-[4-[6-amino-5-cyano-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3402751
(4R)-6-amino-4-(4-cyanophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 675952
4,7-diamino-5-(4-hydroxyphenyl)-2-methyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 23906215
(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
(4R)-6-amino-4-(3-hydroxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 675917
(4S)-6-amino-4-(4-fluorophenyl)-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 704764
6-amino-3,4-bis(1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3279852
[4-[(4R)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] acetate
CID 689131
5-amino-7-(4-hydroxyphenyl)-2-methyl-1,7-dihydropyrano[2,3-d]imidazole-6-carbonitrile
CID 4030406

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(1-adamantyl)-6-amino-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4R)-3-(1-adamantyl)-6-amino-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 7119371) is (4R)-3-(1-adamantyl)-6-amino-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4R)-3-(1-adamantyl)-6-amino-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4R)-3-(1-adamantyl)-6-amino-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is N#CC1=C(N)Oc2n[nH]c(C34CC5CC(CC(C5)C3)C4)c2[C@@H]1c1ccc(O)cc1.
What is the InChIKey of (4R)-3-(1-adamantyl)-6-amino-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is SJNPAWCLCGUVMJ-LNKMMKDDSA-N. The full InChI is InChI=1S/C23H24N4O2/c24-11-17-18(15-1-3-16(28)4-2-15)19-20(26-27-22(19)29-21(17)25)23-8-12-5-13(9-23)7-14(6-12)10-23/h1-4,12-14,18,28H,5-10,25H2,(H,26,27)/t12?,13?,14?,18-,23?/m1/s1.
What are the key properties of (4R)-3-(1-adamantyl)-6-amino-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4R)-3-(1-adamantyl)-6-amino-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 388.47 g/mol, XLogP of 3.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(1-adamantyl)-6-amino-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 7119371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).