N-[2-(2-cyclopropyl-4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-3-fluoropropanamide

C20H22FN5O3 — CID 163252579

IUPACN-[2-(2-cyclopropyl-4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-3-fluoropropanamide
SMILESCOc1nc(C2CC2)nc(OC)c1-c1cc2cc(NC(=O)CCF)ncc2n1C
InChIInChI=1S/C20H22FN5O3/c1-26-13(8-12-9-15(22-10-14(12)26)23-16(27)6-7-21)17-19(28-2)24-18(11-4-5-11)25-20(17)29-3/h8-11H,4-7H2,1-3H3,(H,22,23,27)
InChIKeyRVSQBNRAAMAQME-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.22
Rot. Bonds7

About N-[2-(2-cyclopropyl-4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-3-fluoropropanamide

N-[2-(2-cyclopropyl-4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-3-fluoropropanamide (PubChem CID 163252579) has the molecular formula C20H22FN5O3 and a molecular weight of 399.43 g/mol. Its IUPAC name is N-[2-(2-cyclopropyl-4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-3-fluoropropanamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropyl-4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-3-fluoropropanamide
PubChem CID163252579
Molecular FormulaC20H22FN5O3
Molecular Weight399.43 g/mol
Exact Mass399.17
IUPAC NameN-[2-(2-cyclopropyl-4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-3-fluoropropanamide
SMILESCOc1nc(C2CC2)nc(OC)c1-c1cc2cc(NC(=O)CCF)ncc2n1C
InChIInChI=1S/C20H22FN5O3/c1-26-13(8-12-9-15(22-10-14(12)26)23-16(27)6-7-21)17-19(28-2)24-18(11-4-5-11)25-20(17)29-3/h8-11H,4-7H2,1-3H3,(H,22,23,27)
InChIKeyRVSQBNRAAMAQME-UHFFFAOYSA-N
XLogP3.22
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropyl-4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-3-fluoropropanamide?
The IUPAC name of N-[2-(2-cyclopropyl-4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-3-fluoropropanamide (CID 163252579) is N-[2-(2-cyclopropyl-4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-3-fluoropropanamide.
What is the SMILES notation for N-[2-(2-cyclopropyl-4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-3-fluoropropanamide?
The canonical SMILES for N-[2-(2-cyclopropyl-4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-3-fluoropropanamide is COc1nc(C2CC2)nc(OC)c1-c1cc2cc(NC(=O)CCF)ncc2n1C.
What is the InChIKey of N-[2-(2-cyclopropyl-4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-3-fluoropropanamide?
The InChIKey is RVSQBNRAAMAQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3/c1-26-13(8-12-9-15(22-10-14(12)26)23-16(27)6-7-21)17-19(28-2)24-18(11-4-5-11)25-20(17)29-3/h8-11H,4-7H2,1-3H3,(H,22,23,27).
What are the key properties of N-[2-(2-cyclopropyl-4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-3-fluoropropanamide?
N-[2-(2-cyclopropyl-4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-3-fluoropropanamide has a molecular weight of 399.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropyl-4,6-dimethoxypyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-3-fluoropropanamide is sourced from PubChem (CID 163252579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).