(19R)-22-amino-10-(difluoromethyl)-5,16,19-trimethyl-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile

C24H21F2N7O — CID 164981676

IUPAC(19R)-22-amino-10-(difluoromethyl)-5,16,19-trimethyl-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile
SMILESCc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(C#N)nn(C)c1Cc1cc(C(F)F)nn1-2
InChIInChI=1S/C24H21F2N7O/c1-12-4-5-19-16(6-12)13(2)34-21-7-14(11-29-24(21)28)22-18(10-27)30-32(3)20(22)9-15-8-17(23(25)26)31-33(15)19/h4-8,11,13,23H,9H2,1-3H3,(H2,28,29)/t13-/m1/s1
InChIKeyFOUCUWRPJUAMNV-CYBMUJFWSA-N
MW461.48 g/mol
LogP4.41
Rot. Bonds1

About (19R)-22-amino-10-(difluoromethyl)-5,16,19-trimethyl-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile

(19R)-22-amino-10-(difluoromethyl)-5,16,19-trimethyl-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile (PubChem CID 164981676) has the molecular formula C24H21F2N7O and a molecular weight of 461.48 g/mol. Its IUPAC name is (19R)-22-amino-10-(difluoromethyl)-5,16,19-trimethyl-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile.

Molecular Properties

Compound Name(19R)-22-amino-10-(difluoromethyl)-5,16,19-trimethyl-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile
PubChem CID164981676
Molecular FormulaC24H21F2N7O
Molecular Weight461.48 g/mol
Exact Mass461.18
IUPAC Name(19R)-22-amino-10-(difluoromethyl)-5,16,19-trimethyl-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile
SMILESCc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(C#N)nn(C)c1Cc1cc(C(F)F)nn1-2
InChIInChI=1S/C24H21F2N7O/c1-12-4-5-19-16(6-12)13(2)34-21-7-14(11-29-24(21)28)22-18(10-27)30-32(3)20(22)9-15-8-17(23(25)26)31-33(15)19/h4-8,11,13,23H,9H2,1-3H3,(H2,28,29)/t13-/m1/s1
InChIKeyFOUCUWRPJUAMNV-CYBMUJFWSA-N
XLogP4.41
TPSA107.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (19R)-22-amino-10-(difluoromethyl)-5,16,19-trimethyl-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (19R)-22-amino-10-(difluoromethyl)-5,16,19-trimethyl-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile?
The IUPAC name of (19R)-22-amino-10-(difluoromethyl)-5,16,19-trimethyl-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile (CID 164981676) is (19R)-22-amino-10-(difluoromethyl)-5,16,19-trimethyl-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile.
What is the SMILES notation for (19R)-22-amino-10-(difluoromethyl)-5,16,19-trimethyl-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile?
The canonical SMILES for (19R)-22-amino-10-(difluoromethyl)-5,16,19-trimethyl-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile is Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(C#N)nn(C)c1Cc1cc(C(F)F)nn1-2.
What is the InChIKey of (19R)-22-amino-10-(difluoromethyl)-5,16,19-trimethyl-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile?
The InChIKey is FOUCUWRPJUAMNV-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H21F2N7O/c1-12-4-5-19-16(6-12)13(2)34-21-7-14(11-29-24(21)28)22-18(10-27)30-32(3)20(22)9-15-8-17(23(25)26)31-33(15)19/h4-8,11,13,23H,9H2,1-3H3,(H2,28,29)/t13-/m1/s1.
What are the key properties of (19R)-22-amino-10-(difluoromethyl)-5,16,19-trimethyl-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile?
(19R)-22-amino-10-(difluoromethyl)-5,16,19-trimethyl-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile has a molecular weight of 461.48 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (19R)-22-amino-10-(difluoromethyl)-5,16,19-trimethyl-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile is sourced from PubChem (CID 164981676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).