N-[(3R,4R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C20H25N9 — CID 171354308

IUPACN-[(3R,4R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1cc(N2CC[C@@H](C)[C@@H](N(C)c3ncnc4[nH]ccc34)C2)n2ncnc2n1
InChIInChI=1S/C20H25N9/c1-4-14-9-17(29-20(26-14)24-12-25-29)28-8-6-13(2)16(10-28)27(3)19-15-5-7-21-18(15)22-11-23-19/h5,7,9,11-13,16H,4,6,8,10H2,1-3H3,(H,21,22,23)/t13-,16+/m1/s1
InChIKeyJCOWCQHYTJRKTK-CJNGLKHVSA-N
MW391.48 g/mol
LogP2.31
Rot. Bonds4

About N-[(3R,4R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[(3R,4R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 171354308) has the molecular formula C20H25N9 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[(3R,4R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3R,4R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID171354308
Molecular FormulaC20H25N9
Molecular Weight391.48 g/mol
Exact Mass391.22
IUPAC NameN-[(3R,4R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1cc(N2CC[C@@H](C)[C@@H](N(C)c3ncnc4[nH]ccc34)C2)n2ncnc2n1
InChIInChI=1S/C20H25N9/c1-4-14-9-17(29-20(26-14)24-12-25-29)28-8-6-13(2)16(10-28)27(3)19-15-5-7-21-18(15)22-11-23-19/h5,7,9,11-13,16H,4,6,8,10H2,1-3H3,(H,21,22,23)/t13-,16+/m1/s1
InChIKeyJCOWCQHYTJRKTK-CJNGLKHVSA-N
XLogP2.31
TPSA91.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(3R,4R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-methyl-N-[(3R,4R)-4-methyl-1-[5-methyl-2-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171357764
N-methyl-N-(4-methyl-1-pyridin-2-ylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22282908
N-methyl-N-[4-methyl-1-(1,3-thiazol-2-yl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22282985
(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylic acid
CID 57434379
N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172970961
N-methyl-N-[(3R,4R)-4-methyl-1-propylsulfonylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 11473598
1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carbonyl]piperidine-4-carboxylic acid
CID 22282931
2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1,3-benzoxazole-6-carboxylic acid
CID 22282885
2-methylpropyl (3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 67361459
1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 22282850
3-[[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methoxy]propanenitrile
CID 163633950
tert-butyl 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanoate
CID 152646104

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3R,4R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 171354308) is N-[(3R,4R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3R,4R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3R,4R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCc1cc(N2CC[C@@H](C)[C@@H](N(C)c3ncnc4[nH]ccc34)C2)n2ncnc2n1.
What is the InChIKey of N-[(3R,4R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is JCOWCQHYTJRKTK-CJNGLKHVSA-N. The full InChI is InChI=1S/C20H25N9/c1-4-14-9-17(29-20(26-14)24-12-25-29)28-8-6-13(2)16(10-28)27(3)19-15-5-7-21-18(15)22-11-23-19/h5,7,9,11-13,16H,4,6,8,10H2,1-3H3,(H,21,22,23)/t13-,16+/m1/s1.
What are the key properties of N-[(3R,4R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(3R,4R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 391.48 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 171354308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).