6-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]spiro[3.3]heptan-2-ol

C27H31N9O2S — CID 163265417

IUPAC6-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]spiro[3.3]heptan-2-ol
SMILESOC1CC2(C1)CC(Nc1cc(CN3CCOCC3)cc(Nc3ncc(-c4nnn(-c5ccccc5)n4)s3)n1)C2
InChIInChI=1S/C27H31N9O2S/c37-21-14-27(15-21)12-19(13-27)29-23-10-18(17-35-6-8-38-9-7-35)11-24(30-23)31-26-28-16-22(39-26)25-32-34-36(33-25)20-4-2-1-3-5-20/h1-5,10-11,16,19,21,37H,6-9,12-15,17H2,(H2,28,29,30,31)
InChIKeyVJWVHKCKXRPOJN-UHFFFAOYSA-N
MW545.67 g/mol
LogP3.47
Rot. Bonds8

About 6-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]spiro[3.3]heptan-2-ol

6-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]spiro[3.3]heptan-2-ol (PubChem CID 163265417) has the molecular formula C27H31N9O2S and a molecular weight of 545.67 g/mol. Its IUPAC name is 6-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]spiro[3.3]heptan-2-ol.

Molecular Properties

Compound Name6-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]spiro[3.3]heptan-2-ol
PubChem CID163265417
Molecular FormulaC27H31N9O2S
Molecular Weight545.67 g/mol
Exact Mass545.23
IUPAC Name6-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]spiro[3.3]heptan-2-ol
SMILESOC1CC2(C1)CC(Nc1cc(CN3CCOCC3)cc(Nc3ncc(-c4nnn(-c5ccccc5)n4)s3)n1)C2
InChIInChI=1S/C27H31N9O2S/c37-21-14-27(15-21)12-19(13-27)29-23-10-18(17-35-6-8-38-9-7-35)11-24(30-23)31-26-28-16-22(39-26)25-32-34-36(33-25)20-4-2-1-3-5-20/h1-5,10-11,16,19,21,37H,6-9,12-15,17H2,(H2,28,29,30,31)
InChIKeyVJWVHKCKXRPOJN-UHFFFAOYSA-N
XLogP3.47
TPSA126.14 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.67
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 6-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]spiro[3.3]heptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3S)-3-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 163232657
1-[(3S)-3-[[6-[[5-[2-(1-methylpyrazol-4-yl)tetrazol-5-yl]-1,3-thiazol-2-yl]amino]-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-one
CID 163232623
tert-butyl (3S)-3-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 163232631
6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol
CID 163265443
6-N-(5-methyl-1,3-thiazol-2-yl)-4-(morpholin-4-ylmethyl)pyridine-2,6-diamine
CID 146425111
3-[4-(morpholin-4-ylmethyl)-6-[[5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]phenol
CID 163265419
3-[[4-(morpholin-4-ylmethyl)-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid
CID 156562942
1-[3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]piperidin-1-yl]but-2-yn-1-one
CID 146425150
1-[(3S)-3-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-pyridin-2-yltetrazol-5-yl)-1,2-oxazol-3-yl]amino]-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-one
CID 163232595
N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine
CID 58285180
4-[[4-(pyrrolidin-1-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol
CID 53380351
1-[(3S)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]-4-(morpholin-4-ylmethyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 163600522

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]spiro[3.3]heptan-2-ol?
The IUPAC name of 6-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]spiro[3.3]heptan-2-ol (CID 163265417) is 6-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]spiro[3.3]heptan-2-ol.
What is the SMILES notation for 6-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]spiro[3.3]heptan-2-ol?
The canonical SMILES for 6-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]spiro[3.3]heptan-2-ol is OC1CC2(C1)CC(Nc1cc(CN3CCOCC3)cc(Nc3ncc(-c4nnn(-c5ccccc5)n4)s3)n1)C2.
What is the InChIKey of 6-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]spiro[3.3]heptan-2-ol?
The InChIKey is VJWVHKCKXRPOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N9O2S/c37-21-14-27(15-21)12-19(13-27)29-23-10-18(17-35-6-8-38-9-7-35)11-24(30-23)31-26-28-16-22(39-26)25-32-34-36(33-25)20-4-2-1-3-5-20/h1-5,10-11,16,19,21,37H,6-9,12-15,17H2,(H2,28,29,30,31).
What are the key properties of 6-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]spiro[3.3]heptan-2-ol?
6-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]spiro[3.3]heptan-2-ol has a molecular weight of 545.67 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]spiro[3.3]heptan-2-ol is sourced from PubChem (CID 163265417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).