4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C19H26N8 — CID 129276038

IUPAC4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCN1CCC(n2cc(Nc3nc(NCC4CC4)c4cc[nH]c4n3)cn2)CC1
InChIInChI=1S/C19H26N8/c1-26-8-5-15(6-9-26)27-12-14(11-22-27)23-19-24-17-16(4-7-20-17)18(25-19)21-10-13-2-3-13/h4,7,11-13,15H,2-3,5-6,8-10H2,1H3,(H3,20,21,23,24,25)
InChIKeyKETBAOQAGJWNGB-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.99
Rot. Bonds6

About 4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 129276038) has the molecular formula C19H26N8 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID129276038
Molecular FormulaC19H26N8
Molecular Weight366.47 g/mol
Exact Mass366.23
IUPAC Name4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCN1CCC(n2cc(Nc3nc(NCC4CC4)c4cc[nH]c4n3)cn2)CC1
InChIInChI=1S/C19H26N8/c1-26-8-5-15(6-9-26)27-12-14(11-22-27)23-19-24-17-16(4-7-20-17)18(25-19)21-10-13-2-3-13/h4,7,11-13,15H,2-3,5-6,8-10H2,1H3,(H3,20,21,23,24,25)
InChIKeyKETBAOQAGJWNGB-UHFFFAOYSA-N
XLogP2.99
TPSA86.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
ethane;4-methyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 145336742
2-N-(1-cyclobutylpyrazol-4-yl)-4-N-[(1S)-1-cyclopropylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129244964
ethylcyclopropane;4-N-methyl-2-N-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 145336730
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
5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 172824528
4-N-[(1R)-1-cyclopropylethyl]-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 129266631
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
1-[(2S,5R)-5-[[2-[(1-cyclopentylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one
CID 142615148
2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol
CID 169158124
4-N-(cyclopropylmethyl)-2-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 175181697

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 129276038) is 4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is CN1CCC(n2cc(Nc3nc(NCC4CC4)c4cc[nH]c4n3)cn2)CC1.
What is the InChIKey of 4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is KETBAOQAGJWNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8/c1-26-8-5-15(6-9-26)27-12-14(11-22-27)23-19-24-17-16(4-7-20-17)18(25-19)21-10-13-2-3-13/h4,7,11-13,15H,2-3,5-6,8-10H2,1H3,(H3,20,21,23,24,25).
What are the key properties of 4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 366.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 129276038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).