(6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H21N5O2 — CID 136727602

IUPAC(6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c1NC[C@@H](CN[C@@H]1CCOc3ccccc31)C2
InChIInChI=1S/C17H21N5O2/c18-16(23)13-9-21-22-10-11(8-20-17(13)22)7-19-14-5-6-24-15-4-2-1-3-12(14)15/h1-4,9,11,14,19-20H,5-8,10H2,(H2,18,23)/t11-,14-/m1/s1
InChIKeyUWDOWUMKQFTRLL-BXUZGUMPSA-N
MW327.39 g/mol
LogP1.14
Rot. Bonds4

About (6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136727602) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136727602
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c1NC[C@@H](CN[C@@H]1CCOc3ccccc31)C2
InChIInChI=1S/C17H21N5O2/c18-16(23)13-9-21-22-10-11(8-20-17(13)22)7-19-14-5-6-24-15-4-2-1-3-12(14)15/h1-4,9,11,14,19-20H,5-8,10H2,(H2,18,23)/t11-,14-/m1/s1
InChIKeyUWDOWUMKQFTRLL-BXUZGUMPSA-N
XLogP1.14
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136817521
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
(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
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide
CID 106171125
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide
CID 62364889
(4R)-8-methyl-N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
CID 136877406
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
CID 104768242
5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide
CID 43705298
2-(4-aminopiperidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide;hydrochloride
CID 119907719
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124614790
1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide
CID 78872570

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136727602) is (6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2c1NC[C@@H](CN[C@@H]1CCOc3ccccc31)C2.
What is the InChIKey of (6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UWDOWUMKQFTRLL-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H21N5O2/c18-16(23)13-9-21-22-10-11(8-20-17(13)22)7-19-14-5-6-24-15-4-2-1-3-12(14)15/h1-4,9,11,14,19-20H,5-8,10H2,(H2,18,23)/t11-,14-/m1/s1.
What are the key properties of (6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136727602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).