[4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone

C23H37N5O3Si — CID 140753782

IUPAC[4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC(C)[Si](O[C@H]1C[C@H](Nc2ncncc2C(=O)c2ccn[nH]2)C[C@@H]1CO)(C(C)C)C(C)C
InChIInChI=1S/C23H37N5O3Si/c1-14(2)32(15(3)4,16(5)6)31-21-10-18(9-17(21)12-29)27-23-19(11-24-13-25-23)22(30)20-7-8-26-28-20/h7-8,11,13-18,21,29H,9-10,12H2,1-6H3,(H,26,28)(H,24,25,27)/t17-,18-,21+/m1/s1
InChIKeyJWZOQRMCPRQJTJ-OPYAIIAOSA-N
MW459.67 g/mol
LogP4.17
Rot. Bonds10

About [4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone

[4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 140753782) has the molecular formula C23H37N5O3Si and a molecular weight of 459.67 g/mol. Its IUPAC name is [4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID140753782
Molecular FormulaC23H37N5O3Si
Molecular Weight459.67 g/mol
Exact Mass459.27
IUPAC Name[4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC(C)[Si](O[C@H]1C[C@H](Nc2ncncc2C(=O)c2ccn[nH]2)C[C@@H]1CO)(C(C)C)C(C)C
InChIInChI=1S/C23H37N5O3Si/c1-14(2)32(15(3)4,16(5)6)31-21-10-18(9-17(21)12-29)27-23-19(11-24-13-25-23)22(30)20-7-8-26-28-20/h7-8,11,13-18,21,29H,9-10,12H2,1-6H3,(H,26,28)(H,24,25,27)/t17-,18-,21+/m1/s1
InChIKeyJWZOQRMCPRQJTJ-OPYAIIAOSA-N
XLogP4.17
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.67
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone with MolForge

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Related Compounds

[4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1-phenylpyrazol-3-yl)methanone
CID 140753724
[4-[(R)-(3-bromophenyl)-hydroxymethyl]-5-chlorothiophen-2-yl]-[4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]methanone
CID 154404451
[4-[(1R)-1-(3-bromophenyl)-1-trimethylsilyloxyethyl]thiophen-2-yl]-[4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]methanone
CID 154404508
[4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]methanone
CID 154404460
[4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-cyclopropylprop-2-ynyl]-5-chlorothiophen-2-yl]-[4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]methanone
CID 154404470
[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-[4-[(1S)-1-hydroxyethyl]furan-2-yl]methanone
CID 154404434
[(1R,2S,4R)-4-[[5-[5-chloro-4-(3-chlorophenyl)sulfinylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-tri(propan-2-yl)silyloxycyclopentyl]methylsulfamic acid
CID 174058111
5-[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidine-5-carbonyl]thiophene-3-carbaldehyde
CID 154404443
[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]-[4-[tri(propan-2-yl)silyloxymethyl]furan-2-yl]methanone
CID 159541879
[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-[4-(2-phenylethyl)thiophen-2-yl]methanone
CID 131745526
[4-[[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone
CID 140753718
[1-[(3-bromophenyl)methyl]pyrazol-3-yl]-[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]methanone
CID 129320033

Frequently Asked Questions

What is the IUPAC name of [4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone (CID 140753782) is [4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone is CC(C)[Si](O[C@H]1C[C@H](Nc2ncncc2C(=O)c2ccn[nH]2)C[C@@H]1CO)(C(C)C)C(C)C.
What is the InChIKey of [4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is JWZOQRMCPRQJTJ-OPYAIIAOSA-N. The full InChI is InChI=1S/C23H37N5O3Si/c1-14(2)32(15(3)4,16(5)6)31-21-10-18(9-17(21)12-29)27-23-19(11-24-13-25-23)22(30)20-7-8-26-28-20/h7-8,11,13-18,21,29H,9-10,12H2,1-6H3,(H,26,28)(H,24,25,27)/t17-,18-,21+/m1/s1.
What are the key properties of [4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone?
[4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 459.67 g/mol, XLogP of 4.17, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 140753782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).