2-cyclopropyl-N-(1-pyridazin-3-ylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C18H21N7 — CID 136557255

IUPAC2-cyclopropyl-N-(1-pyridazin-3-ylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1cnnc(N2CCC(Nc3nc(C4CC4)nc4[nH]ccc34)CC2)c1
InChIInChI=1S/C18H21N7/c1-2-15(24-20-8-1)25-10-6-13(7-11-25)21-18-14-5-9-19-17(14)22-16(23-18)12-3-4-12/h1-2,5,8-9,12-13H,3-4,6-7,10-11H2,(H2,19,21,22,23)
InChIKeyGCOTYHBLRFKQLA-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.71
Rot. Bonds4

About 2-cyclopropyl-N-(1-pyridazin-3-ylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-cyclopropyl-N-(1-pyridazin-3-ylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 136557255) has the molecular formula C18H21N7 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1-pyridazin-3-ylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(1-pyridazin-3-ylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID136557255
Molecular FormulaC18H21N7
Molecular Weight335.41 g/mol
Exact Mass335.19
IUPAC Name2-cyclopropyl-N-(1-pyridazin-3-ylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1cnnc(N2CCC(Nc3nc(C4CC4)nc4[nH]ccc34)CC2)c1
InChIInChI=1S/C18H21N7/c1-2-15(24-20-8-1)25-10-6-13(7-11-25)21-18-14-5-9-19-17(14)22-16(23-18)12-3-4-12/h1-2,5,8-9,12-13H,3-4,6-7,10-11H2,(H2,19,21,22,23)
InChIKeyGCOTYHBLRFKQLA-UHFFFAOYSA-N
XLogP2.71
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1-pyridazin-3-ylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-(1-pyridazin-3-ylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 136557255) is 2-cyclopropyl-N-(1-pyridazin-3-ylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-(1-pyridazin-3-ylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-(1-pyridazin-3-ylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is c1cnnc(N2CCC(Nc3nc(C4CC4)nc4[nH]ccc34)CC2)c1.
What is the InChIKey of 2-cyclopropyl-N-(1-pyridazin-3-ylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GCOTYHBLRFKQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-2-15(24-20-8-1)25-10-6-13(7-11-25)21-18-14-5-9-19-17(14)22-16(23-18)12-3-4-12/h1-2,5,8-9,12-13H,3-4,6-7,10-11H2,(H2,19,21,22,23).
What are the key properties of 2-cyclopropyl-N-(1-pyridazin-3-ylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-cyclopropyl-N-(1-pyridazin-3-ylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 335.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1-pyridazin-3-ylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 136557255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).