tert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate

C22H34N6O3 — CID 156542870

IUPACtert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCN(CC2CCC(n3ccc4c(N)ncnc43)O2)C1
InChIInChI=1S/C22H34N6O3/c1-22(2,3)31-21(29)24-11-15-5-4-9-27(12-15)13-16-6-7-18(30-16)28-10-8-17-19(23)25-14-26-20(17)28/h8,10,14-16,18H,4-7,9,11-13H2,1-3H3,(H,24,29)(H2,23,25,26)
InChIKeyTTYVHRGWETXQET-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.93
Rot. Bonds5

About tert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate

tert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate (PubChem CID 156542870) has the molecular formula C22H34N6O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is tert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate
PubChem CID156542870
Molecular FormulaC22H34N6O3
Molecular Weight430.55 g/mol
Exact Mass430.27
IUPAC Nametert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCN(CC2CCC(n3ccc4c(N)ncnc43)O2)C1
InChIInChI=1S/C22H34N6O3/c1-22(2,3)31-21(29)24-11-15-5-4-9-27(12-15)13-16-6-7-18(30-16)28-10-8-17-19(23)25-14-26-20(17)28/h8,10,14-16,18H,4-7,9,11-13H2,1-3H3,(H,24,29)(H2,23,25,26)
InChIKeyTTYVHRGWETXQET-UHFFFAOYSA-N
XLogP2.93
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[(2S)-1-[[(1R,3S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]pyrrolidin-2-yl]ethyl]carbamate
CID 156542902
tert-butyl N-[[(3S)-1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]methyl]carbamate
CID 95044081
tert-butyl 9-[[5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 156542770
tert-butyl N-[[(3R)-4-[[(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]morpholin-3-yl]methyl]carbamate
CID 130418559
7-[5-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 145365103
tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate
CID 71632340
tert-butyl N-[[(3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]carbamate
CID 97174485
7-[5-[[2-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 130419247
tert-butyl N-[[(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methyl]carbamate
CID 97174474
tert-butyl N-[[(3S)-1-[(3-chloropyrazin-2-yl)methyl]piperidin-3-yl]methyl]carbamate
CID 97174489
tert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate
CID 84595915
tert-butyl N-[(1-benzylazepan-3-yl)methyl]carbamate
CID 130577903

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate (CID 156542870) is tert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCN(CC2CCC(n3ccc4c(N)ncnc43)O2)C1.
What is the InChIKey of tert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate?
The InChIKey is TTYVHRGWETXQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O3/c1-22(2,3)31-21(29)24-11-15-5-4-9-27(12-15)13-16-6-7-18(30-16)28-10-8-17-19(23)25-14-26-20(17)28/h8,10,14-16,18H,4-7,9,11-13H2,1-3H3,(H,24,29)(H2,23,25,26).
What are the key properties of tert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate?
tert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate has a molecular weight of 430.55 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]piperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 156542870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).