tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate

C19H27N5O4 — CID 164938342

IUPACtert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate
SMILESCOc1cncc(OCC2(CNC(=O)OC(C)(C)C)CC2)c1-c1cc(N)n[nH]1
InChIInChI=1S/C19H27N5O4/c1-18(2,3)28-17(25)22-10-19(5-6-19)11-27-14-9-21-8-13(26-4)16(14)12-7-15(20)24-23-12/h7-9H,5-6,10-11H2,1-4H3,(H,22,25)(H3,20,23,24)
InChIKeyUYOSPYSOOLWZKV-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.75
Rot. Bonds7

About tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate

tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate (PubChem CID 164938342) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate
PubChem CID164938342
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Nametert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate
SMILESCOc1cncc(OCC2(CNC(=O)OC(C)(C)C)CC2)c1-c1cc(N)n[nH]1
InChIInChI=1S/C19H27N5O4/c1-18(2,3)28-17(25)22-10-19(5-6-19)11-27-14-9-21-8-13(26-4)16(14)12-7-15(20)24-23-12/h7-9H,5-6,10-11H2,1-4H3,(H,22,25)(H3,20,23,24)
InChIKeyUYOSPYSOOLWZKV-UHFFFAOYSA-N
XLogP2.75
TPSA124.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2R)-3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]-2-fluoropropyl]carbamate
CID 164938410
tert-butyl 3-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]-3-methylazetidine-1-carboxylate
CID 164938399
tert-butyl N-[[1-[[7-(3-amino-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]methyl]carbamate
CID 177118375
tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-1,5-naphthyridin-3-yl]oxymethyl]-3,3-difluorocyclobutyl]methyl]carbamate
CID 177118408
tert-butyl 3-[(1R)-1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxy]ethyl]azetidine-1-carboxylate
CID 164938364
tert-butyl N-[[1-[[5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate
CID 140558276
tert-butyl 3-[[3-(3-amino-1H-pyrazol-5-yl)-2-methoxy-4-pyridinyl]oxymethyl]-3-(hydroxymethyl)azetidine-1-carboxylate
CID 164938344
tert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate
CID 140558253
tert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate
CID 140558225
methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate
CID 139401080
tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]carbamate
CID 164938333
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate (CID 164938342) is tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate is COc1cncc(OCC2(CNC(=O)OC(C)(C)C)CC2)c1-c1cc(N)n[nH]1.
What is the InChIKey of tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate?
The InChIKey is UYOSPYSOOLWZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-18(2,3)28-17(25)22-10-19(5-6-19)11-27-14-9-21-8-13(26-4)16(14)12-7-15(20)24-23-12/h7-9H,5-6,10-11H2,1-4H3,(H,22,25)(H3,20,23,24).
What are the key properties of tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate?
tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate has a molecular weight of 389.46 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate is sourced from PubChem (CID 164938342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).