N,N-dimethyl-6-[1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]pyridin-2-amine

C19H21N7 — CID 91418714

IUPACN,N-dimethyl-6-[1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]pyridin-2-amine
SMILESCCC(c1cccc(N(C)C)n1)n1cc(-c2ncnc3[nH]ccc23)cn1
InChIInChI=1S/C19H21N7/c1-4-16(15-6-5-7-17(24-15)25(2)3)26-11-13(10-23-26)18-14-8-9-20-19(14)22-12-21-18/h5-12,16H,4H2,1-3H3,(H,20,21,22)
InChIKeyYSVMZDXZVNXIMJ-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.28
Rot. Bonds5

About N,N-dimethyl-6-[1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]pyridin-2-amine

N,N-dimethyl-6-[1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]pyridin-2-amine (PubChem CID 91418714) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is N,N-dimethyl-6-[1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]pyridin-2-amine
PubChem CID91418714
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC NameN,N-dimethyl-6-[1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]pyridin-2-amine
SMILESCCC(c1cccc(N(C)C)n1)n1cc(-c2ncnc3[nH]ccc23)cn1
InChIInChI=1S/C19H21N7/c1-4-16(15-6-5-7-17(24-15)25(2)3)26-11-13(10-23-26)18-14-8-9-20-19(14)22-12-21-18/h5-12,16H,4H2,1-3H3,(H,20,21,22)
InChIKeyYSVMZDXZVNXIMJ-UHFFFAOYSA-N
XLogP3.28
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-6-[1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]pyridin-2-amine with MolForge

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Related Compounds

4-[1-[1-(4-methoxyphenyl)propyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 87350428
4-[1-[1-(4-methylsulfanylphenyl)propyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 91243543
4-[1-[1-(2-bromo-4-pyridinyl)propyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 91503127
4-[1-[1-(4-methoxyphenyl)propyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine;nitrous acid
CID 87350427
4-(1-hex-5-yn-3-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 57477904
4-(1-heptan-3-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;molecular hydrogen
CID 158542075
6-[2-cyano-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 66597815
3-[(1S)-2-cyano-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]benzonitrile
CID 57477780
4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]pentan-2-one
CID 66597305
4-[1-(1,1,1,5,5-pentafluoropentan-2-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 57478028
5,5-dimethyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]hexanenitrile
CID 44625421
4-[1-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 123660047

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-6-[1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]pyridin-2-amine (CID 91418714) is N,N-dimethyl-6-[1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-6-[1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-6-[1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]pyridin-2-amine is CCC(c1cccc(N(C)C)n1)n1cc(-c2ncnc3[nH]ccc23)cn1.
What is the InChIKey of N,N-dimethyl-6-[1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]pyridin-2-amine?
The InChIKey is YSVMZDXZVNXIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-4-16(15-6-5-7-17(24-15)25(2)3)26-11-13(10-23-26)18-14-8-9-20-19(14)22-12-21-18/h5-12,16H,4H2,1-3H3,(H,20,21,22).
What are the key properties of N,N-dimethyl-6-[1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]pyridin-2-amine?
N,N-dimethyl-6-[1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]pyridin-2-amine has a molecular weight of 347.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]pyridin-2-amine is sourced from PubChem (CID 91418714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).