N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C22H18N8O2 — CID 90683944

IUPACN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4[nH]ncc4c3)c2)c2cncnc21
InChIInChI=1S/C22H18N8O2/c1-12(2)30-10-18(17-9-24-11-26-21(17)30)19(31)13-4-16(8-23-5-13)28-22(32)15-3-14-7-27-29-20(14)25-6-15/h3-12H,1-2H3,(H,28,32)(H,25,27,29)
InChIKeyFXUAFRXTTOGPIN-UHFFFAOYSA-N
MW426.44 g/mol
LogP3.16
Rot. Bonds5

About N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 90683944) has the molecular formula C22H18N8O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID90683944
Molecular FormulaC22H18N8O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4[nH]ncc4c3)c2)c2cncnc21
InChIInChI=1S/C22H18N8O2/c1-12(2)30-10-18(17-9-24-11-26-21(17)30)19(31)13-4-16(8-23-5-13)28-22(32)15-3-14-7-27-29-20(14)25-6-15/h3-12H,1-2H3,(H,28,32)(H,25,27,29)
InChIKeyFXUAFRXTTOGPIN-UHFFFAOYSA-N
XLogP3.16
TPSA131.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 90683944) is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4[nH]ncc4c3)c2)c2cncnc21.
What is the InChIKey of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is FXUAFRXTTOGPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8O2/c1-12(2)30-10-18(17-9-24-11-26-21(17)30)19(31)13-4-16(8-23-5-13)28-22(32)15-3-14-7-27-29-20(14)25-6-15/h3-12H,1-2H3,(H,28,32)(H,25,27,29).
What are the key properties of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 90683944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).