7-cyano-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide

C20H22FN5O2 — CID 166070092

IUPAC7-cyano-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide
SMILESCCNc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2c1[nH]c1cc(C#N)ccc12
InChIInChI=1S/C20H22FN5O2/c1-4-23-17-13(19(27)25-10-15(21)20(2,3)28)9-24-16-12-6-5-11(8-22)7-14(12)26-18(16)17/h5-7,9,15,26,28H,4,10H2,1-3H3,(H,23,24)(H,25,27)/t15-/m1/s1
InChIKeySOULGTCSZJACLW-OAHLLOKOSA-N
MW383.43 g/mol
LogP2.86
Rot. Bonds6

About 7-cyano-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide

7-cyano-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide (PubChem CID 166070092) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 7-cyano-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide.

Molecular Properties

Compound Name7-cyano-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide
PubChem CID166070092
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name7-cyano-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide
SMILESCCNc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2c1[nH]c1cc(C#N)ccc12
InChIInChI=1S/C20H22FN5O2/c1-4-23-17-13(19(27)25-10-15(21)20(2,3)28)9-24-16-12-6-5-11(8-22)7-14(12)26-18(16)17/h5-7,9,15,26,28H,4,10H2,1-3H3,(H,23,24)(H,25,27)/t15-/m1/s1
InChIKeySOULGTCSZJACLW-OAHLLOKOSA-N
XLogP2.86
TPSA113.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyano-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide?
The IUPAC name of 7-cyano-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide (CID 166070092) is 7-cyano-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide.
What is the SMILES notation for 7-cyano-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide?
The canonical SMILES for 7-cyano-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide is CCNc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2c1[nH]c1cc(C#N)ccc12.
What is the InChIKey of 7-cyano-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide?
The InChIKey is SOULGTCSZJACLW-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-4-23-17-13(19(27)25-10-15(21)20(2,3)28)9-24-16-12-6-5-11(8-22)7-14(12)26-18(16)17/h5-7,9,15,26,28H,4,10H2,1-3H3,(H,23,24)(H,25,27)/t15-/m1/s1.
What are the key properties of 7-cyano-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide?
7-cyano-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide is sourced from PubChem (CID 166070092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).