(4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine

C15H22N6 — CID 136905513

IUPAC(4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCC[C@@H]2NC[C@H]1CNc2ccnn2C1
InChIInChI=1S/C15H22N6/c1-20-14-4-2-3-13(12(14)9-19-20)16-7-11-8-17-15-5-6-18-21(15)10-11/h5-6,9,11,13,16-17H,2-4,7-8,10H2,1H3/t11-,13-/m0/s1
InChIKeyBBKJOXSGDDPJSX-AAEUAGOBSA-N
MW286.38 g/mol
LogP1.33
Rot. Bonds3

About (4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine

(4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 136905513) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is (4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID136905513
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name(4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCC[C@@H]2NC[C@H]1CNc2ccnn2C1
InChIInChI=1S/C15H22N6/c1-20-14-4-2-3-13(12(14)9-19-20)16-7-11-8-17-15-5-6-18-21(15)10-11/h5-6,9,11,13,16-17H,2-4,7-8,10H2,1H3/t11-,13-/m0/s1
InChIKeyBBKJOXSGDDPJSX-AAEUAGOBSA-N
XLogP1.33
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Related Compounds

(4S)-1-methyl-N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 136905220
(4S)-1-methyl-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 136905221
1-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 54907070
1-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 79082528
1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 115694381
N-[(1,1-dioxothiolan-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 54915682
1-methyl-N-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 82834722
(4R)-8-methyl-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
CID 136905471
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
N-[(5-bromofuran-2-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727339
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
N-(2-chloroprop-2-enyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 115890898

Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 136905513) is (4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCC[C@@H]2NC[C@H]1CNc2ccnn2C1.
What is the InChIKey of (4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is BBKJOXSGDDPJSX-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H22N6/c1-20-14-4-2-3-13(12(14)9-19-20)16-7-11-8-17-15-5-6-18-21(15)10-11/h5-6,9,11,13,16-17H,2-4,7-8,10H2,1H3/t11-,13-/m0/s1.
What are the key properties of (4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine?
(4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 286.38 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 136905513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).