(3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile

C20H13N5O2 — CID 1036077

IUPAC(3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C20H13N5O2/c21-10-13-17(22)27-18-15(16(24-25-18)11-6-2-1-3-7-11)20(13)12-8-4-5-9-14(12)23-19(20)26/h1-9H,22H2,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKeyFCBAZMGDHRJAGU-FQEVSTJZSA-N
MW355.36 g/mol
LogP2.40
Rot. Bonds1

About (3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile

(3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile (PubChem CID 1036077) has the molecular formula C20H13N5O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is (3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile.

Molecular Properties

Compound Name(3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
PubChem CID1036077
Molecular FormulaC20H13N5O2
Molecular Weight355.36 g/mol
Exact Mass355.11
IUPAC Name(3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C20H13N5O2/c21-10-13-17(22)27-18-15(16(24-25-18)11-6-2-1-3-7-11)20(13)12-8-4-5-9-14(12)23-19(20)26/h1-9H,22H2,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKeyFCBAZMGDHRJAGU-FQEVSTJZSA-N
XLogP2.40
TPSA116.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6'-amino-2-oxo-3'-(phenylsulfanylmethyl)spiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 2961995
(3R)-6'-amino-5-chloro-3'-(4-methylphenyl)-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 1006141
6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 3992081
13-phenylspiro[17-oxa-14,15-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,12,15-hexaene-11,3'-1H-indole]-2',8,9-trione
CID 122227207
2-[(4S)-6-amino-5-cyano-3-(4-fluorophenyl)-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl]acetic acid
CID 1044786
(4S)-6-amino-1'-[(4-fluorophenyl)methyl]-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 1402881
6'-amino-2-oxo-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 15094138
(3R)-6'-amino-5-bromo-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 1035480
6'-amino-4-bromo-3'-(3,4-dimethoxyphenyl)-5-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 3652036
6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile
CID 12924203
5'-amino-2-oxospiro[1H-indole-3,3'-6-oxa-15,26-diazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),4,8,10,12,14,16,18,20,22,24-dodecaene]-4'-carbonitrile
CID 102203715
6-amino-1'-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 3480129

Frequently Asked Questions

What is the IUPAC name of (3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The IUPAC name of (3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile (CID 1036077) is (3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile.
What is the SMILES notation for (3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The canonical SMILES for (3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile is N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The InChIKey is FCBAZMGDHRJAGU-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H13N5O2/c21-10-13-17(22)27-18-15(16(24-25-18)11-6-2-1-3-7-11)20(13)12-8-4-5-9-14(12)23-19(20)26/h1-9H,22H2,(H,23,26)(H,24,25)/t20-/m0/s1.
What are the key properties of (3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
(3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile has a molecular weight of 355.36 g/mol, XLogP of 2.40, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile is sourced from PubChem (CID 1036077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).