N-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C19H19N5O3 — CID 163251124

IUPACN-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCOc1ncnc(OC2CC2)c1-c1c[nH]c2nc(NC(=O)C3CC3)ccc12
InChIInChI=1S/C19H19N5O3/c1-26-18-15(19(22-9-21-18)27-11-4-5-11)13-8-20-16-12(13)6-7-14(23-16)24-17(25)10-2-3-10/h6-11H,2-5H2,1H3,(H2,20,23,24,25)
InChIKeyRSOFFLLMATVPFF-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.92
Rot. Bonds6

About N-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

N-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 163251124) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID163251124
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCOc1ncnc(OC2CC2)c1-c1c[nH]c2nc(NC(=O)C3CC3)ccc12
InChIInChI=1S/C19H19N5O3/c1-26-18-15(19(22-9-21-18)27-11-4-5-11)13-8-20-16-12(13)6-7-14(23-16)24-17(25)10-2-3-10/h6-11H,2-5H2,1H3,(H2,20,23,24,25)
InChIKeyRSOFFLLMATVPFF-UHFFFAOYSA-N
XLogP2.92
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide 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-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 163251124) is N-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is COc1ncnc(OC2CC2)c1-c1c[nH]c2nc(NC(=O)C3CC3)ccc12.
What is the InChIKey of N-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is RSOFFLLMATVPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-26-18-15(19(22-9-21-18)27-11-4-5-11)13-8-20-16-12(13)6-7-14(23-16)24-17(25)10-2-3-10/h6-11H,2-5H2,1H3,(H2,20,23,24,25).
What are the key properties of N-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopropyloxy-6-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 163251124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).