imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane

C18H23N7O2S — CID 169061239

IUPACimino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane
SMILES[H]N=[S@](C)(=O)C1(c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)cnn23)CC1
InChIInChI=1S/C18H23N7O2S/c1-12-11-27-8-7-24(12)16-9-15(18(4-5-18)28(2,19)26)25-17(22-16)13(10-21-25)14-3-6-20-23-14/h3,6,9-10,12,19H,4-5,7-8,11H2,1-2H3,(H,20,23)/t12-,28-/m1/s1
InChIKeyIZWTVOMPIQYYGF-BODITIBLSA-N
MW401.50 g/mol
LogP2.01
Rot. Bonds4

About imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane

imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane (PubChem CID 169061239) has the molecular formula C18H23N7O2S and a molecular weight of 401.50 g/mol. Its IUPAC name is imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane
PubChem CID169061239
Molecular FormulaC18H23N7O2S
Molecular Weight401.50 g/mol
Exact Mass401.16
IUPAC Nameimino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane
SMILES[H]N=[S@](C)(=O)C1(c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)cnn23)CC1
InChIInChI=1S/C18H23N7O2S/c1-12-11-27-8-7-24(12)16-9-15(18(4-5-18)28(2,19)26)25-17(22-16)13(10-21-25)14-3-6-20-23-14/h3,6,9-10,12,19H,4-5,7-8,11H2,1-2H3,(H,20,23)/t12-,28-/m1/s1
InChIKeyIZWTVOMPIQYYGF-BODITIBLSA-N
XLogP2.01
TPSA112.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane with MolForge

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Related Compounds

imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane
CID 169061194
imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane
CID 169061181
(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
CID 163822192
CID 167996467
CID 167996467
(3R)-4-[7-[1-[(3R)-3-fluoropiperidin-4-yl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
CID 168678884
imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane
CID 171463158
imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 166756222
imino-methyl-[1-[6-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 119081226
3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446335
6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 166928055
3-(iodomethyl)-6-[(3R)-3-methylmorpholin-4-yl]-4-(1-methylsulfonylcyclopropyl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 170361452
(3R)-4-[4-chloro-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 155454721

Frequently Asked Questions

What is the IUPAC name of imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane?
The IUPAC name of imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane (CID 169061239) is imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane.
What is the SMILES notation for imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane?
The canonical SMILES for imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane is [H]N=[S@](C)(=O)C1(c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)cnn23)CC1.
What is the InChIKey of imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane?
The InChIKey is IZWTVOMPIQYYGF-BODITIBLSA-N. The full InChI is InChI=1S/C18H23N7O2S/c1-12-11-27-8-7-24(12)16-9-15(18(4-5-18)28(2,19)26)25-17(22-16)13(10-21-25)14-3-6-20-23-14/h3,6,9-10,12,19H,4-5,7-8,11H2,1-2H3,(H,20,23)/t12-,28-/m1/s1.
What are the key properties of imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane?
imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane has a molecular weight of 401.50 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopropyl]-oxo-λ6-sulfane is sourced from PubChem (CID 169061239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).