tert-butyl 4-[5-[(7-cyclopentyl-5-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-pyridinyl]piperazine-1-carboxylate

C26H37N7O2 — CID 70951011

IUPACtert-butyl 4-[5-[(7-cyclopentyl-5-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-pyridinyl]piperazine-1-carboxylate
SMILESCC1CN(C2CCCC2)c2nc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)ncc21
InChIInChI=1S/C26H37N7O2/c1-18-17-33(20-7-5-6-8-20)23-21(18)16-28-24(30-23)29-19-9-10-22(27-15-19)31-11-13-32(14-12-31)25(34)35-26(2,3)4/h9-10,15-16,18,20H,5-8,11-14,17H2,1-4H3,(H,28,29,30)
InChIKeySQPPNRRGPPZAFD-UHFFFAOYSA-N
MW479.63 g/mol
LogP4.54
Rot. Bonds4

About tert-butyl 4-[5-[(7-cyclopentyl-5-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-pyridinyl]piperazine-1-carboxylate

tert-butyl 4-[5-[(7-cyclopentyl-5-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 70951011) has the molecular formula C26H37N7O2 and a molecular weight of 479.63 g/mol. Its IUPAC name is tert-butyl 4-[5-[(7-cyclopentyl-5-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[(7-cyclopentyl-5-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-pyridinyl]piperazine-1-carboxylate
PubChem CID70951011
Molecular FormulaC26H37N7O2
Molecular Weight479.63 g/mol
Exact Mass479.30
IUPAC Nametert-butyl 4-[5-[(7-cyclopentyl-5-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-pyridinyl]piperazine-1-carboxylate
SMILESCC1CN(C2CCCC2)c2nc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)ncc21
InChIInChI=1S/C26H37N7O2/c1-18-17-33(20-7-5-6-8-20)23-21(18)16-28-24(30-23)29-19-9-10-22(27-15-19)31-11-13-32(14-12-31)25(34)35-26(2,3)4/h9-10,15-16,18,20H,5-8,11-14,17H2,1-4H3,(H,28,29,30)
InChIKeySQPPNRRGPPZAFD-UHFFFAOYSA-N
XLogP4.54
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[5-[(7-cyclopentyl-5-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-pyridinyl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate
CID 143289183
tert-butyl 4-[4-[(1-cyclopentyl-2,2-dioxo-3,4-dihydropyrimido[4,5-c]thiazin-7-yl)amino]phenyl]piperazine-1-carboxylate
CID 10128647
7-cyclopropyl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
CID 70951109
tert-butyl 4-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]piperazine-1-carboxylate
CID 47040321
tert-butyl 4-[5-[[3-carbamoyl-6-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazin-2-yl]amino]-2-pyridinyl]piperazine-1-carboxylate
CID 146484957
tert-butyl 2-[[[5-fluoro-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 71014688
tert-butyl 4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 146523656
tert-butyl 4-[4-[(8-cyclopentyl-5-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carboxylate
CID 11752697
6-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 67560935
methyl 8-cyclopentyl-5-methyl-2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 11376429
tert-butyl 4-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,4-diazepane-1-carboxylate
CID 11179909
6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 2771843

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[(7-cyclopentyl-5-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[(7-cyclopentyl-5-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-pyridinyl]piperazine-1-carboxylate (CID 70951011) is tert-butyl 4-[5-[(7-cyclopentyl-5-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[(7-cyclopentyl-5-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[(7-cyclopentyl-5-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-pyridinyl]piperazine-1-carboxylate is CC1CN(C2CCCC2)c2nc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)ncc21.
What is the InChIKey of tert-butyl 4-[5-[(7-cyclopentyl-5-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is SQPPNRRGPPZAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O2/c1-18-17-33(20-7-5-6-8-20)23-21(18)16-28-24(30-23)29-19-9-10-22(27-15-19)31-11-13-32(14-12-31)25(34)35-26(2,3)4/h9-10,15-16,18,20H,5-8,11-14,17H2,1-4H3,(H,28,29,30).
What are the key properties of tert-butyl 4-[5-[(7-cyclopentyl-5-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-pyridinyl]piperazine-1-carboxylate?
tert-butyl 4-[5-[(7-cyclopentyl-5-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 479.63 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[(7-cyclopentyl-5-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 70951011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).