N-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide

C17H18N6O2 — CID 133274136

IUPACN-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(CNc2ncnc3[nH]ncc23)c1)C1CCCO1
InChIInChI=1S/C17H18N6O2/c24-17(14-5-2-6-25-14)22-12-4-1-3-11(7-12)8-18-15-13-9-21-23-16(13)20-10-19-15/h1,3-4,7,9-10,14H,2,5-6,8H2,(H,22,24)(H2,18,19,20,21,23)
InChIKeyOTRNSBJJFYGJIT-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.08
Rot. Bonds5

About N-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide

N-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide (PubChem CID 133274136) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide
PubChem CID133274136
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(CNc2ncnc3[nH]ncc23)c1)C1CCCO1
InChIInChI=1S/C17H18N6O2/c24-17(14-5-2-6-25-14)22-12-4-1-3-11(7-12)8-18-15-13-9-21-23-16(13)20-10-19-15/h1,3-4,7,9-10,14H,2,5-6,8H2,(H,22,24)(H2,18,19,20,21,23)
InChIKeyOTRNSBJJFYGJIT-UHFFFAOYSA-N
XLogP2.08
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide with MolForge

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Related Compounds

(2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 100663858
N-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 47982074
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
(2S)-N-[3-[[(3-nitro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 94825831
N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305213
N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 133442683
N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide
CID 97315172
N-[3-[(7-aminoheptanoylamino)methyl]phenyl]oxolane-2-carboxamide
CID 119751979
6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid
CID 122047903
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305205
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 133404937

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide (CID 133274136) is N-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(CNc2ncnc3[nH]ncc23)c1)C1CCCO1.
What is the InChIKey of N-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide?
The InChIKey is OTRNSBJJFYGJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-17(14-5-2-6-25-14)22-12-4-1-3-11(7-12)8-18-15-13-9-21-23-16(13)20-10-19-15/h1,3-4,7,9-10,14H,2,5-6,8H2,(H,22,24)(H2,18,19,20,21,23).
What are the key properties of N-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide?
N-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 133274136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).