(1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol

C22H29N7O2 — CID 90417459

IUPAC(1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol
SMILESCCn1cc(C(O)[C@H]2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)cn1
InChIInChI=1S/C22H29N7O2/c1-2-29-15-17(13-23-29)21(30)16-4-3-7-28(14-16)22-19-6-5-18(12-20(19)24-26-25-22)27-8-10-31-11-9-27/h5-6,12-13,15-16,21,30H,2-4,7-11,14H2,1H3/t16-,21?/m0/s1
InChIKeyLOMQDSBAOJRFJA-BJQOMGFOSA-N
MW423.52 g/mol
LogP2.03
Rot. Bonds5

About (1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol

(1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol (PubChem CID 90417459) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol
PubChem CID90417459
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name(1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol
SMILESCCn1cc(C(O)[C@H]2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)cn1
InChIInChI=1S/C22H29N7O2/c1-2-29-15-17(13-23-29)21(30)16-4-3-7-28(14-16)22-19-6-5-18(12-20(19)24-26-25-22)27-8-10-31-11-9-27/h5-6,12-13,15-16,21,30H,2-4,7-11,14H2,1H3/t16-,21?/m0/s1
InChIKeyLOMQDSBAOJRFJA-BJQOMGFOSA-N
XLogP2.03
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol
CID 123272311
[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol
CID 123428635
(5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol
CID 123371313
(R)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol
CID 71571150
6-[hydroxy-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methyl]pyridazine-3-carboxylic acid
CID 123268540
(1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 71203426
(S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 71203396
(1S)-1-[(3S)-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidin-3-yl]ethanol
CID 97250145
cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
4-[4-[3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71203364
4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71202760
(1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine
CID 65332290

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of (1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol (CID 90417459) is (1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol is CCn1cc(C(O)[C@H]2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol?
The InChIKey is LOMQDSBAOJRFJA-BJQOMGFOSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-2-29-15-17(13-23-29)21(30)16-4-3-7-28(14-16)22-19-6-5-18(12-20(19)24-26-25-22)27-8-10-31-11-9-27/h5-6,12-13,15-16,21,30H,2-4,7-11,14H2,1H3/t16-,21?/m0/s1.
What are the key properties of (1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol?
(1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol has a molecular weight of 423.52 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 90417459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).