1-amino-N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]indole-4-carboxamide

C28H30N8O2 — CID 121258726

IUPAC1-amino-N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]indole-4-carboxamide
SMILESCCN(CC)C(=O)c1cccc2c1cc(-c1[nH]nc3ncc(-c4cncc(NC(=O)C(C)C)c4)cc13)n2N
InChIInChI=1S/C28H30N8O2/c1-5-35(6-2)28(38)20-8-7-9-23-21(20)12-24(36(23)29)25-22-11-18(14-31-26(22)34-33-25)17-10-19(15-30-13-17)32-27(37)16(3)4/h7-16H,5-6,29H2,1-4H3,(H,32,37)(H,31,33,34)
InChIKeyGYMPQPSUZDMNCM-UHFFFAOYSA-N
MW510.60 g/mol
LogP4.43
Rot. Bonds7

About 1-amino-N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]indole-4-carboxamide

1-amino-N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]indole-4-carboxamide (PubChem CID 121258726) has the molecular formula C28H30N8O2 and a molecular weight of 510.60 g/mol. Its IUPAC name is 1-amino-N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]indole-4-carboxamide.

Molecular Properties

Compound Name1-amino-N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]indole-4-carboxamide
PubChem CID121258726
Molecular FormulaC28H30N8O2
Molecular Weight510.60 g/mol
Exact Mass510.25
IUPAC Name1-amino-N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]indole-4-carboxamide
SMILESCCN(CC)C(=O)c1cccc2c1cc(-c1[nH]nc3ncc(-c4cncc(NC(=O)C(C)C)c4)cc13)n2N
InChIInChI=1S/C28H30N8O2/c1-5-35(6-2)28(38)20-8-7-9-23-21(20)12-24(36(23)29)25-22-11-18(14-31-26(22)34-33-25)17-10-19(15-30-13-17)32-27(37)16(3)4/h7-16H,5-6,29H2,1-4H3,(H,32,37)(H,31,33,34)
InChIKeyGYMPQPSUZDMNCM-UHFFFAOYSA-N
XLogP4.43
TPSA134.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.60
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]indole-4-carboxamide?
The IUPAC name of 1-amino-N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]indole-4-carboxamide (CID 121258726) is 1-amino-N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]indole-4-carboxamide.
What is the SMILES notation for 1-amino-N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]indole-4-carboxamide?
The canonical SMILES for 1-amino-N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]indole-4-carboxamide is CCN(CC)C(=O)c1cccc2c1cc(-c1[nH]nc3ncc(-c4cncc(NC(=O)C(C)C)c4)cc13)n2N.
What is the InChIKey of 1-amino-N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]indole-4-carboxamide?
The InChIKey is GYMPQPSUZDMNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O2/c1-5-35(6-2)28(38)20-8-7-9-23-21(20)12-24(36(23)29)25-22-11-18(14-31-26(22)34-33-25)17-10-19(15-30-13-17)32-27(37)16(3)4/h7-16H,5-6,29H2,1-4H3,(H,32,37)(H,31,33,34).
What are the key properties of 1-amino-N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]indole-4-carboxamide?
1-amino-N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]indole-4-carboxamide has a molecular weight of 510.60 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]indole-4-carboxamide is sourced from PubChem (CID 121258726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).