ethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C18H27N7 — CID 145336742

IUPACethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC.Cc1nc(Nc2cnn(C3CCN(C)CC3)c2)nc2[nH]ccc12
InChIInChI=1S/C16H21N7.C2H6/c1-11-14-3-6-17-15(14)21-16(19-11)20-12-9-18-23(10-12)13-4-7-22(2)8-5-13;1-2/h3,6,9-10,13H,4-5,7-8H2,1-2H3,(H2,17,19,20,21);1-2H3
InChIKeyMIUQUWNEGKDNLZ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.50
Rot. Bonds3

About ethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

ethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 145336742) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is ethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Nameethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID145336742
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Nameethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC.Cc1nc(Nc2cnn(C3CCN(C)CC3)c2)nc2[nH]ccc12
InChIInChI=1S/C16H21N7.C2H6/c1-11-14-3-6-17-15(14)21-16(19-11)20-12-9-18-23(10-12)13-4-7-22(2)8-5-13;1-2/h3,6,9-10,13H,4-5,7-8H2,1-2H3,(H2,17,19,20,21);1-2H3
InChIKeyMIUQUWNEGKDNLZ-UHFFFAOYSA-N
XLogP3.50
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129276038
4-N-[(1S)-1-cyclopropylethyl]-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129244987
4-N-(1-cyclopropylethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129244990
2-N-(1-cyclobutylpyrazol-4-yl)-4-N-[(1S)-1-cyclopropylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129244964
5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 172824528
2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol
CID 169158124
4-N-(2-dimethylphosphorylphenyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 140936141
4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol
CID 155204644
4-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-N-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129266663
4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
CID 134421040
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)quinazolin-2-amine
CID 168990722
5,6-dimethyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 167934182

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of ethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 145336742) is ethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for ethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for ethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CC.Cc1nc(Nc2cnn(C3CCN(C)CC3)c2)nc2[nH]ccc12.
What is the InChIKey of ethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is MIUQUWNEGKDNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7.C2H6/c1-11-14-3-6-17-15(14)21-16(19-11)20-12-9-18-23(10-12)13-4-7-22(2)8-5-13;1-2/h3,6,9-10,13H,4-5,7-8H2,1-2H3,(H2,17,19,20,21);1-2H3.
What are the key properties of ethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
ethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 341.46 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 145336742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).