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

C22H18N6O3 — CID 90683889

IUPACN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4occc4[nH]3)c2)c2cncnc21
InChIInChI=1S/C22H18N6O3/c1-12(2)28-10-16(15-9-24-11-25-21(15)28)20(29)13-5-14(8-23-7-13)26-22(30)18-6-19-17(27-18)3-4-31-19/h3-12,27H,1-2H3,(H,26,30)
InChIKeyWNIQQHBFXAZDMU-UHFFFAOYSA-N
MW414.43 g/mol
LogP3.96
Rot. Bonds5

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

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4H-furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 90683889) has the molecular formula C22H18N6O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4H-furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
PubChem CID90683889
Molecular FormulaC22H18N6O3
Molecular Weight414.43 g/mol
Exact Mass414.14
IUPAC NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4occc4[nH]3)c2)c2cncnc21
InChIInChI=1S/C22H18N6O3/c1-12(2)28-10-16(15-9-24-11-25-21(15)28)20(29)13-5-14(8-23-7-13)26-22(30)18-6-19-17(27-18)3-4-31-19/h3-12,27H,1-2H3,(H,26,30)
InChIKeyWNIQQHBFXAZDMU-UHFFFAOYSA-N
XLogP3.96
TPSA118.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4H-furo[3,2-b]pyrrole-5-carboxamide 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 N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4H-furo[3,2-b]pyrrole-5-carboxamide (CID 90683889) is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4H-furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4H-furo[3,2-b]pyrrole-5-carboxamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4occc4[nH]3)c2)c2cncnc21.
What is the InChIKey of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is WNIQQHBFXAZDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O3/c1-12(2)28-10-16(15-9-24-11-25-21(15)28)20(29)13-5-14(8-23-7-13)26-22(30)18-6-19-17(27-18)3-4-31-19/h3-12,27H,1-2H3,(H,26,30).
What are the key properties of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4H-furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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]-4H-furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 90683889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).