6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C23H27N5O2 — CID 156838242

IUPAC6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCO[C@H]1CCN([C@H]2COc3ccccc3[C@@H]2Nc2ncnc3[nH]c(C4CC4)cc23)C1
InChIInChI=1S/C23H27N5O2/c1-29-15-8-9-28(11-15)19-12-30-20-5-3-2-4-16(20)21(19)27-23-17-10-18(14-6-7-14)26-22(17)24-13-25-23/h2-5,10,13-15,19,21H,6-9,11-12H2,1H3,(H2,24,25,26,27)/t15-,19-,21-/m0/s1
InChIKeyQDVSCEOUMVIGTD-ZRCAFCQKSA-N
MW405.50 g/mol
LogP3.47
Rot. Bonds5

About 6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 156838242) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID156838242
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCO[C@H]1CCN([C@H]2COc3ccccc3[C@@H]2Nc2ncnc3[nH]c(C4CC4)cc23)C1
InChIInChI=1S/C23H27N5O2/c1-29-15-8-9-28(11-15)19-12-30-20-5-3-2-4-16(20)21(19)27-23-17-10-18(14-6-7-14)26-22(17)24-13-25-23/h2-5,10,13-15,19,21H,6-9,11-12H2,1H3,(H2,24,25,26,27)/t15-,19-,21-/m0/s1
InChIKeyQDVSCEOUMVIGTD-ZRCAFCQKSA-N
XLogP3.47
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-cyclopropyl-N-[(3S,4R)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156838104
6-cyclopropyl-N-[3-[2-(trifluoromethyl)morpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167482508
N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167482577
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174168516
6-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-methoxyazetidine
CID 156838112
N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 170958433
N-[(3R,4S)-3-[3-(trideuteriomethoxy)azetidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 170661543
1-[[4-[(6-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-chromen-3-yl]oxy]-2-methylpropan-2-ol
CID 167482745
6-cyclopropyl-N-[3-(oxetan-3-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837791
N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-indol-4-amine
CID 170958608
N-[3-[3-(difluoromethoxy)azetidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837916
3-(3-methoxypyrrolidin-1-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 103532266

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 156838242) is 6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CO[C@H]1CCN([C@H]2COc3ccccc3[C@@H]2Nc2ncnc3[nH]c(C4CC4)cc23)C1.
What is the InChIKey of 6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QDVSCEOUMVIGTD-ZRCAFCQKSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-29-15-8-9-28(11-15)19-12-30-20-5-3-2-4-16(20)21(19)27-23-17-10-18(14-6-7-14)26-22(17)24-13-25-23/h2-5,10,13-15,19,21H,6-9,11-12H2,1H3,(H2,24,25,26,27)/t15-,19-,21-/m0/s1.
What are the key properties of 6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 405.50 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(3R,4S)-3-[(3S)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 156838242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).