6'-amino-3'-methyl-1-(morpholin-4-ylmethyl)-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile

C26H24N6O3 — CID 21232999

IUPAC6'-amino-3'-methyl-1-(morpholin-4-ylmethyl)-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
SMILESCc1nn(-c2ccccc2)c2c1C1(C(=O)N(CN3CCOCC3)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C26H24N6O3/c1-17-22-24(32(29-17)18-7-3-2-4-8-18)35-23(28)20(15-27)26(22)19-9-5-6-10-21(19)31(25(26)33)16-30-11-13-34-14-12-30/h2-10H,11-14,16,28H2,1H3
InChIKeySFLHFWKWAPZPBP-UHFFFAOYSA-N
MW468.52 g/mol
LogP2.19
Rot. Bonds3

About 6'-amino-3'-methyl-1-(morpholin-4-ylmethyl)-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile

6'-amino-3'-methyl-1-(morpholin-4-ylmethyl)-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile (PubChem CID 21232999) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 6'-amino-3'-methyl-1-(morpholin-4-ylmethyl)-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile.

Molecular Properties

Compound Name6'-amino-3'-methyl-1-(morpholin-4-ylmethyl)-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
PubChem CID21232999
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name6'-amino-3'-methyl-1-(morpholin-4-ylmethyl)-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
SMILESCc1nn(-c2ccccc2)c2c1C1(C(=O)N(CN3CCOCC3)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C26H24N6O3/c1-17-22-24(32(29-17)18-7-3-2-4-8-18)35-23(28)20(15-27)26(22)19-9-5-6-10-21(19)31(25(26)33)16-30-11-13-34-14-12-30/h2-10H,11-14,16,28H2,1H3
InChIKeySFLHFWKWAPZPBP-UHFFFAOYSA-N
XLogP2.19
TPSA109.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6'-amino-3'-methyl-1-(morpholin-4-ylmethyl)-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile?
The IUPAC name of 6'-amino-3'-methyl-1-(morpholin-4-ylmethyl)-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile (CID 21232999) is 6'-amino-3'-methyl-1-(morpholin-4-ylmethyl)-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile.
What is the SMILES notation for 6'-amino-3'-methyl-1-(morpholin-4-ylmethyl)-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile?
The canonical SMILES for 6'-amino-3'-methyl-1-(morpholin-4-ylmethyl)-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile is Cc1nn(-c2ccccc2)c2c1C1(C(=O)N(CN3CCOCC3)c3ccccc31)C(C#N)=C(N)O2.
What is the InChIKey of 6'-amino-3'-methyl-1-(morpholin-4-ylmethyl)-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile?
The InChIKey is SFLHFWKWAPZPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-17-22-24(32(29-17)18-7-3-2-4-8-18)35-23(28)20(15-27)26(22)19-9-5-6-10-21(19)31(25(26)33)16-30-11-13-34-14-12-30/h2-10H,11-14,16,28H2,1H3.
What are the key properties of 6'-amino-3'-methyl-1-(morpholin-4-ylmethyl)-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile?
6'-amino-3'-methyl-1-(morpholin-4-ylmethyl)-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile has a molecular weight of 468.52 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-amino-3'-methyl-1-(morpholin-4-ylmethyl)-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile is sourced from PubChem (CID 21232999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).