6-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridazin-3-amine

C15H16ClN7 — CID 88562744

IUPAC6-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridazin-3-amine
SMILESCN(c1ccc(Cl)nn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C15H16ClN7/c1-22(13-3-2-12(16)20-21-13)10-5-7-23(8-10)15-11-4-6-17-14(11)18-9-19-15/h2-4,6,9-10H,5,7-8H2,1H3,(H,17,18,19)/t10-/m1/s1
InChIKeyILVFKAOCLLGRPC-SNVBAGLBSA-N
MW329.80 g/mol
LogP2.12
Rot. Bonds3

About 6-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridazin-3-amine

6-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridazin-3-amine (PubChem CID 88562744) has the molecular formula C15H16ClN7 and a molecular weight of 329.80 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridazin-3-amine
PubChem CID88562744
Molecular FormulaC15H16ClN7
Molecular Weight329.80 g/mol
Exact Mass329.12
IUPAC Name6-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridazin-3-amine
SMILESCN(c1ccc(Cl)nn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C15H16ClN7/c1-22(13-3-2-12(16)20-21-13)10-5-7-23(8-10)15-11-4-6-17-14(11)18-9-19-15/h2-4,6,9-10H,5,7-8H2,1H3,(H,17,18,19)/t10-/m1/s1
InChIKeyILVFKAOCLLGRPC-SNVBAGLBSA-N
XLogP2.12
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridazin-3-amine (CID 88562744) is 6-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridazin-3-amine is CN(c1ccc(Cl)nn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1.
What is the InChIKey of 6-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridazin-3-amine?
The InChIKey is ILVFKAOCLLGRPC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16ClN7/c1-22(13-3-2-12(16)20-21-13)10-5-7-23(8-10)15-11-4-6-17-14(11)18-9-19-15/h2-4,6,9-10H,5,7-8H2,1H3,(H,17,18,19)/t10-/m1/s1.
What are the key properties of 6-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridazin-3-amine?
6-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridazin-3-amine has a molecular weight of 329.80 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 88562744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).